N-[[1-(2-methylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(2-methylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[[1-(o-tolyl)pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide CAS Name: N-[[1-(2-methylphenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(2-methylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[[1-(o-tolyl)pyrrol-2-yl]methyleneamino]benzothiophene-2-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C=CC=C2C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-14-5-2-3-7-18(14)24-10-4-6-17(24)13-22-23-21(26)20-12-15-11-16(25(27)28)8-9-19(15)29-20/h2-13H,1H3,(H,23,26)