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

Systemtic Name: 4-(3-chlorophenyl)-3-methylsulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-(methylthio)-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-(3-chlorophenyl)-5-(methylthio)-1,2,4-triazole Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1C2=CC(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3S/c1-21-16-19-18-15(10-12-6-3-2-4-7-12)20(16)14-9-5-8-13(17)11-14/h2-9,11H,10H2,1H3