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

Systemtic Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-[(5-phenyl-1H-imidazol-2-yl)thio]propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=C(N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-12-8-9-15(10-17(12)23(25)26)21-18(24)13(2)27-19-20-11-16(22-19)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,22)(H,21,24)/t13-/m0/s1