ethyl 4-(3-chloranyl-4-methyl-phenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-4-methyl-phenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 4-(3-chloro-4-methyl-phenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-methylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-(3-chloro-4-methyl-phenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C13H11ClN4O2S/c1-3-20-12(19)11-17-18(13(21-11)16-7-15)9-5-4-8(2)10(14)6-9/h4-6H,3H2,1-2H3