3-[4-(2-methylphenyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2-methylphenyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(o-tolyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-methylphenyl)-5-[[(1S)-1-phenylethyl]thio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2-methylphenyl)-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(o-tolyl)-5-[[(1S)-1-phenylethyl]thio]-1,2,4-triazol-3-yl]pyridine Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2S[C@@H](C)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4S/c1-16-9-6-7-13-20(16)26-21(19-12-8-14-23-15-19)24-25-22(26)27-17(2)18-10-4-3-5-11-18/h3-15,17H,1-2H3/t17-/m0/s1