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

Systemtic Name: 2-[(3-bromanyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(3-bromo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(3-bromo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(3-bromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(3-bromo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC=C3C=C(C(=CC3=O)O)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC=C3C=C(C(=CC3=O)O)Br)C#N

InChI

InChI=1S/C16H13BrN2O2S/c17-12-5-9(13(20)6-14(12)21)8-19-16-11(7-18)10-3-1-2-4-15(10)22-16/h5-6,8,19,21H,1-4H2