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

Systemtic Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-N-(2-methyl-4-nitrophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-methyl-4-nitrophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](C)SC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N5O3S/c1-12-11-16(24(26)27)9-10-17(12)20-18(25)13(2)28-19-22-21-14(3)23(19)15-7-5-4-6-8-15/h4-11,13H,1-3H3,(H,20,25)/t13-/m0/s1