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

Systemtic Name: N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(4-bromophenyl)pyrrol-2-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(4-bromophenyl)-2-pyrrolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(4-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=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CN(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

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