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

Systemtic Name: N-[[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethyl-1-(4-methyl-2-pyridinyl)-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2,5-dimethyl-1-(4-methyl-2-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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