N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N4O3S/c1-14-4-6-19(7-5-14)26-15(2)10-18(16(26)3)13-24-25-23(28)22-12-17-11-20(27(29)30)8-9-21(17)31-22/h4-13H,1-3H3,(H,25,28)