2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=C(C3=CC=CC=C3)NO)N=O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N/C(=C(/C3=CC=CC=C3)\NO)/N=O)C#N

InChI

InChI=1S/C17H16N4O2S/c18-10-13-12-8-4-5-9-14(12)24-17(13)19-16(21-23)15(20-22)11-6-2-1-3-7-11/h1-3,6-7,19-20,22H,4-5,8-9H2/b16-15+