2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C19H16F3N5O3S MolecularWeight: 451.42225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C19H16F3N5O3S/c1-11(31-18-25-16(10-26(18)23)12-5-3-2-4-6-12)17(28)24-15-8-7-13(27(29)30)9-14(15)19(20,21)22/h2-11H,23H2,1H3,(H,24,28)