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

Systemtic Name: 4-[4-(3-chloranyl-2-methyl-phenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(3-chloro-2-methylphenyl)-5-(3-phenylpropylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(3-chloro-2-methylphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(3-chloro-2-methyl-phenyl)-5-(3-phenylpropylthio)-1,2,4-triazol-3-yl]pyridine Formula: C23H21ClN4S MolecularWeight: 420.95764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H21ClN4S/c1-17-20(24)10-5-11-21(17)28-22(19-12-14-25-15-13-19)26-27-23(28)29-16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-15H,6,9,16H2,1H3