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

Systemtic Name: N-[[1-(4-cyanophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(4-cyanophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(4-cyanophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(4-cyanophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C23H17N5O3S MolecularWeight: 443.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N5O3S/c1-14-9-18(15(2)27(14)19-5-3-16(12-24)4-6-19)13-25-26-23(29)22-11-17-10-20(28(30)31)7-8-21(17)32-22/h3-11,13H,1-2H3,(H,26,29)