N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])SCCC#N

InChI

InChI=1S/C18H13N3O3S2/c19-8-3-9-25-16-5-2-1-4-14(16)20-18(22)17-11-12-10-13(21(23)24)6-7-15(12)26-17/h1-2,4-7,10-11H,3,9H2,(H,20,22)