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

Systemtic Name: 2-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C17H15IN2O2S MolecularWeight: 438.28267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2=C(C3=C(S2)CCCC3)C#N)C=C(C1=O)I

Isomeric SMILES

COC1=CC(=CNC2=C(C3=C(S2)CCCC3)C#N)C=C(C1=O)I

InChI

InChI=1S/C17H15IN2O2S/c1-22-14-7-10(6-13(18)16(14)21)9-20-17-12(8-19)11-4-2-3-5-15(11)23-17/h6-7,9,20H,2-5H2,1H3