1-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=C(N2C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=C(N2C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S/c1-13(24)15-7-10-19(17(11-15)23(25)26)27-20-21-12-18(22(20)16-8-9-16)14-5-3-2-4-6-14/h2-7,10-12,16H,8-9H2,1H3