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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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