2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-nitrobenzenesulfenamide IUPAC Name: 2-[(2-nitrophenyl)sulfanylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(2-nitrophenyl)thio]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NSC3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NSC3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N3O2S2/c16-9-11-10-5-1-3-7-13(10)21-15(11)17-22-14-8-4-2-6-12(14)18(19)20/h2,4,6,8,17H,1,3,5,7H2