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

Systemtic Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-N-(2-isopropyl-6-methyl-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-14(2)18-13-9-10-15(3)19(18)23-21(27)16(4)28-22-25-24-20(26(22)5)17-11-7-6-8-12-17/h6-14,16H,1-5H3,(H,23,27)/t16-/m0/s1