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

Systemtic Name: 3-azanyl-2-[(3-methoxy-4-oxidanylidene-5-prop-2-enyl-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile Openeye Name: 2-[(3-allyl-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-amino-3-sulfanyl-prop-2-enenitrile CAS Name: 3-amino-3-mercapto-2-[(3-methoxy-4-oxo-5-prop-2-enyl-1-cyclohexa-2,5-dienylidene)methyl]-2-propenenitrile IUPAC Name: 3-amino-2-[(3-methoxy-4-oxo-5-prop-2-enylcyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrile Traditional Name: 2-[(3-allyl-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-3-amino-3-mercapto-acrylonitrile Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2S/c1-3-4-10-5-9(6-11(8-15)14(16)19)7-12(18-2)13(10)17/h3,5-7,19H,1,4,16H2,2H3