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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanamide CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)propanamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-13-6-9-18(28-3)17(11-13)23-20(27)14(2)29-21-25-24-19(26(21)16-7-8-16)15-5-4-10-22-12-15/h4-6,9-12,14,16H,7-8H2,1-3H3,(H,23,27)/t14-/m0/s1