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

Systemtic Name: (2S)-N-(2-methyl-6-propan-2-yl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-13(2)17-12-8-9-14(3)18(17)22-20(26)15(4)27-21-23-19(24-25-21)16-10-6-5-7-11-16/h5-13,15H,1-4H3,(H,22,26)(H,23,24,25)/t15-/m0/s1