1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-10-7-14(11(2)20(10)12-3-4-12)16(22)9-25-18-19-15-6-5-13(21(23)24)8-17(15)26-18/h5-8,12H,3-4,9H2,1-2H3