2-[(3-bromanyl-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(3-bromanyl-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-bromo-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-bromo-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-bromo-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-bromo-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H12BrN3O3S MolecularWeight: 406.25378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC=C3C=C(C(=O)C(=C3)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC=C3C=C(C(=O)C(=C3)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12BrN3O3S/c17-12-5-9(6-13(15(12)21)20(22)23)8-19-16-11(7-18)10-3-1-2-4-14(10)24-16/h5-6,8,19H,1-4H2