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

Systemtic Name: N-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(3-bromophenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(3-bromophenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(3-bromophenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H13BrN4O3S MolecularWeight: 469.31122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN4O3S/c21-14-3-1-4-15(11-14)24-8-2-5-17(24)12-22-23-20(26)19-10-13-9-16(25(27)28)6-7-18(13)29-19/h1-12H,(H,23,26)