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

Systemtic Name: N-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(3,4-dimethylphenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(3,4-dimethylphenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S/c1-14-5-6-17(10-15(14)2)25-9-3-4-19(25)13-23-24-22(27)21-12-16-11-18(26(28)29)7-8-20(16)30-21/h3-13H,1-2H3,(H,24,27)