ethyl 2-chloranyl-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-chloranyl-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-chloro-4-(6-thioxocyclohexa-1,3-dien-1-yl)pyrimidine-5-carboxylate CAS Name: 2-chloro-4-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-chloro-4-(6-thioxocyclohexa-1,3-dien-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=CCC2=S)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=CCC2=S)Cl

InChI

InChI=1S/C13H11ClN2O2S/c1-2-18-12(17)9-7-15-13(14)16-11(9)8-5-3-4-6-10(8)19/h3-5,7H,2,6H2,1H3