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

Systemtic Name: N-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2,5-dimethyl-1-(5-methyl-2-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethyl-1-(5-methyl-2-pyridinyl)-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2,5-dimethyl-1-(5-methylpyridin-2-yl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2,5-dimethyl-1-(5-methyl-2-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O3S/c1-13-4-7-21(23-11-13)26-14(2)8-17(15(26)3)12-24-25-22(28)20-10-16-9-18(27(29)30)5-6-19(16)31-20/h4-12H,1-3H3,(H,25,28)