3-[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2-methoxy-5-methylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazol-3-yl]pyridine Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-17-10-11-21(28-2)20(13-17)16-29-23-26-25-22(19-9-6-12-24-14-19)27(23)15-18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3