methyl 4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)benzoate

Systemtic Name: methyl 4-(3-azanyl-2-cyano-3-sulfanylidene-prop-1-enyl)benzoate Openeye Name: methyl 4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)benzoate CAS Name: 4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)benzoate Traditional Name: 4-(3-amino-2-cyano-3-thioxo-prop-1-enyl)benzoic acid methyl ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S/c1-16-12(15)9-4-2-8(3-5-9)6-10(7-13)11(14)17/h2-6H,1H3,(H2,14,17)