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

Systemtic Name: N-[(2,5-dimethyl-1-pyridin-4-yl-pyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(2,5-dimethyl-1-pyridin-4-yl-3-pyrrolyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2,5-dimethyl-1-(4-pyridyl)pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NC=C2)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NC=C2)C)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-13-9-16(14(2)25(13)17-5-7-22-8-6-17)12-23-24-21(27)20-11-15-10-18(26(28)29)3-4-19(15)30-20/h3-12H,1-2H3,(H,24,27)