ethyl 6-methyl-4-(2-phenyl-1,2,3-triazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-(2-phenyl-1,2,3-triazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-(2-phenyltriazol-4-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(2-phenyl-4-triazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(2-phenyltriazol-4-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(2-phenyltriazol-4-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=NN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=NN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H17N5O2S/c1-3-23-15(22)13-10(2)18-16(24)19-14(13)12-9-17-21(20-12)11-7-5-4-6-8-11/h4-9,14H,3H2,1-2H3,(H2,18,19,24)