2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(5-nitro-2-oxo-indol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(5-nitro-2-oxo-3-indolyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(5-nitro-2-oxoindol-3-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(2-keto-5-nitro-indol-3-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC3=C4C=C(C=CC4=NC3=O)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H12N4O3S/c18-8-12-10-3-1-2-4-14(10)25-17(12)20-15-11-7-9(21(23)24)5-6-13(11)19-16(15)22/h5-7H,1-4H2,(H,19,20,22)