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

Systemtic Name: 2-[(3-nitro-6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(5-allyl-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-nitro-6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-nitro-6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(5-allyl-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC(=CNC2=C(C3=C(S2)CCCC3)C#N)C1=O)[N+](=O)[O-]

Isomeric SMILES

C=CCC1=CC(=CC(=CNC2=C(C3=C(S2)CCCC3)C#N)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-2-5-12-8-14(22(24)25)9-13(18(12)23)11-21-19-16(10-20)15-6-3-4-7-17(15)26-19/h2,8-9,11,21H,1,3-7H2