methyl 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylate CAS Name: 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylate Traditional Name: 4-phenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=NC2=CC=CC=C2)S1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=NC2=CC=CC=C2)S1)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O2S/c1-21-15(20)14-18-19(13-10-6-3-7-11-13)16(22-14)17-12-8-4-2-5-9-12/h2-11H,1H3