3-[(4-chlorophenyl)methylsulfanyl]-5-(phenylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(phenylmethyl)-1H-1,2,4-triazole Openeye Name: 5-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(phenylmethyl)-1H-1,2,4-triazole IUPAC Name: 5-benzyl-3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-benzyl-3-[(4-chlorobenzyl)thio]-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)CC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(C=C3)Cl

InChI

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