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

Systemtic Name: 2-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c17-8-12-11-3-1-2-4-15(11)23-16(12)18-9-10-5-6-14(20)13(7-10)19(21)22/h5-7,9,18H,1-4H2