N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[1-(cyanomethyl)-3-indolyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[1-(cyanomethyl)indol-3-yl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H13N5O3S MolecularWeight: 403.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O3S/c21-7-8-24-12-14(16-3-1-2-4-17(16)24)11-22-23-20(26)19-10-13-9-15(25(27)28)5-6-18(13)29-19/h1-6,9-12H,8H2,(H,23,26)