3-[4-(4-chloranyl-3-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(4-chloranyl-3-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-benzylsulfanyl-4-(4-chloro-3-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-chloro-3-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-benzylsulfanyl-4-(4-chloro-3-methylphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(benzylthio)-4-(4-chloro-3-methyl-phenyl)-1,2,4-triazol-3-yl]pyridine Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CN=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4=CN=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4S/c1-15-12-18(9-10-19(15)22)26-20(17-8-5-11-23-13-17)24-25-21(26)27-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3