(2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-13(2)17-8-6-7-14(3)18(17)23-20(27)15(4)28-21-25-24-19(26(21)5)16-9-11-22-12-10-16/h6-13,15H,1-5H3,(H,23,27)/t15-/m0/s1