1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-cyclopropyl-2-imidazolyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1-cyclopropylimidazol-2-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-cyclopropylimidazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=CN2C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=CN2C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c1-9(18)10-2-5-13(12(8-10)17(19)20)21-14-15-6-7-16(14)11-3-4-11/h2,5-8,11H,3-4H2,1H3