2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(3-nitrophenyl)-2-pyrrolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(3-nitrophenyl)pyrrol-2-yl]thioacrylamide Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=C2C=C(C#N)C(=S)N

InChI

InChI=1S/C14H10N4O2S/c15-9-10(14(16)21)7-11-5-2-6-17(11)12-3-1-4-13(8-12)18(19)20/h1-8H,(H2,16,21)