587000-20-2
4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL 1-NAPHTHYLMETHYL SULFIDE
Name4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL 1-NAPHTHYLMETHYL SULFIDE
1Identification
【Name】
4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL 1-NAPHTHYLMETHYL SULFIDE
【CAS】
【MDL】
MFCD04032221
【English Synonyms】
【Formula】
C20 H17 N3 S2
【MolWeight】
363.507
【Inchi】
InChI=1S/C20H17N3S2/c1-2-12-23-19(18-11-6-13-24-18)21-22-20(23)25-14-16-9-5-8-15-7-3-4-10-17(15)16/h2-11,13H,1,12,14H2
【InChIKey】
InChIKey=SJGMTCOWTSSXQV-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCc2cccc3c2cccc3)c4cccs4
【MOL File】
4-ALLYL-5-(2-THIENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL 1-NAPHTHYLMETHYL SULFIDE.cml