(E)-3-azanyl-2-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(E)-(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-3-mercapto-2-[(E)-(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-propenenitrile IUPAC Name: (E)-3-amino-2-[(E)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(E)-(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C(N)S)C#N)C(=O)C=C1

Isomeric SMILES

COC1=C/C(=C\C(=C(\N)/S)\C#N)/C(=O)C=C1

InChI

InChI=1S/C11H10N2O2S/c1-15-9-2-3-10(14)7(5-9)4-8(6-12)11(13)16/h2-5,16H,13H2,1H3/b7-4+,11-8+