(E)-3-azanyl-2-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-amino-2-[(E)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-amino-3-mercapto-2-[(E)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-propenenitrile IUPAC Name: (E)-3-amino-2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-amino-2-[(E)-(6-keto-5-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(=CC(=C(N)S)C#N)C1=O

Isomeric SMILES

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

InChI

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