4-[4-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[5-benzylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-benzylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[5-(benzylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine Formula: C20H15ClN4S MolecularWeight: 378.8779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C20H15ClN4S/c21-17-6-8-18(9-7-17)25-19(16-10-12-22-13-11-16)23-24-20(25)26-14-15-4-2-1-3-5-15/h1-13H,14H2