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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole CAS Name: 5-[(4-chlorophenyl)methyl]-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-chlorobenzyl)-1H-1,2,4-triazole Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3S/c17-14-8-6-12(7-9-14)10-15-18-16(20-19-15)21-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19,20)