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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5OS/c1-13-4-3-5-16(12-13)22-19(26)14(2)27-20-24-23-18(25(20)17-6-7-17)15-8-10-21-11-9-15/h3-5,8-12,14,17H,6-7H2,1-2H3,(H,22,26)/t14-/m0/s1