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

Systemtic Name: 3-azanyl-2-[(3-iodanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: 3-amino-2-[(3-iodo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile CAS Name: 3-amino-2-[(3-iodo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile IUPAC Name: 3-amino-2-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: 3-amino-2-[(3-iodo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-3-mercapto-acrylonitrile Formula: C11H9IN2O2S MolecularWeight: 360.17083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9IN2O2S/c1-16-9-4-6(3-8(12)10(9)15)2-7(5-13)11(14)17/h2-4,17H,14H2,1H3