5-[(4-chlorophenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-chlorophenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-chlorophenyl)methyl]-3-(3-thienylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenyl)methyl]-3-(3-thiophenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(4-chlorobenzyl)-3-(3-thenylthio)-1H-1,2,4-triazole Formula: C14H12ClN3S2 MolecularWeight: 321.84818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=NN2)SCC3=CSC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=NN2)SCC3=CSC=C3)Cl

InChI

InChI=1S/C14H12ClN3S2/c15-12-3-1-10(2-4-12)7-13-16-14(18-17-13)20-9-11-5-6-19-8-11/h1-6,8H,7,9H2,(H,16,17,18)