ethyl 2-oxidanylidene-6-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C14H15N5O3S2/c1-2-22-12(20)8-6-15-13(21)16-9(8)7-24-14-17-11(18-19-14)10-4-3-5-23-10/h3-5H,2,6-7H2,1H3,(H2,15,16,21)(H,17,18,19)