3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-chlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-(phenylmethylthio)-4-(2-propan-2-ylphenyl)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-chlorophenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-chlorophenyl)-4-o-cumenyl-1,2,4-triazole Formula: C24H22ClN3S MolecularWeight: 419.96958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3S/c1-17(2)21-10-6-7-11-22(21)28-23(19-12-14-20(25)15-13-19)26-27-24(28)29-16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3