(2S)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2S)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: (2S)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: (2S)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: (2S)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2S[C@@H](C)C(=O)NC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H21N5OS/c1-16-9-6-7-13-20(16)28-21(18-10-8-14-24-15-18)26-27-23(28)30-17(2)22(29)25-19-11-4-3-5-12-19/h3-15,17H,1-2H3,(H,25,29)/t17-/m0/s1