N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: 4-keto-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-[4-(methylthio)phenyl]butyramide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)CCC(=O)C2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)CCC(=O)C2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-12-19-11-17(21(24)25)20(12)10-9-18-16(23)8-7-15(22)13-3-5-14(26-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,18,23)