519056-68-9
4-(2-FURYLMETHYL)-5-(1-NAPHTHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-(2-FURYLMETHYL)-5-(1-NAPHTHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-(2-FURYLMETHYL)-5-(1-NAPHTHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03406924
【English Synonyms】
【Formula】
C17 H13 N3 O S
【MolWeight】
307.376
【Inchi】
InChI=1S/C17H13N3OS/c22-17-19-18-16(20(17)11-13-7-4-10-21-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H,19,22)
【InChIKey】
InChIKey=DZJWQPXUCPWEBC-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cccc2c3nnc(n3Cc4ccco4)S
【MOL File】
4-(2-FURYLMETHYL)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-FURYLMETHYL)-5-(1-NAPHTHYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml