S-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl] ethanethioate

Systemtic Name: S-[(E)-cyano-(4-oxidanylidene-1H-quinazolin-2-ylidene)methyl] ethanethioate Openeye Name: S-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl] ethanethioate CAS Name: ethanethioic acid S-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl] ester IUPAC Name: S-[(E)-cyano-(4-oxo-1H-quinazolin-2-ylidene)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(E)-cyano-(4-keto-1H-quinazolin-2-ylidene)methyl] ester Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(=C1NC2=CC=CC=C2C(=O)N1)C#N

Isomeric SMILES

CC(=O)S/C(=C/1\NC2=CC=CC=C2C(=O)N1)/C#N

InChI

InChI=1S/C12H9N3O2S/c1-7(16)18-10(6-13)11-14-9-5-3-2-4-8(9)12(17)15-11/h2-5,14H,1H3,(H,15,17)/b11-10+