ethyl (4S)-4-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 (4S)-4-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 (4S)-4-ethyl-2-oxo-6-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-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 (4S)-4-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: (4S)-4-ethyl-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: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NNC(=N2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NNC(=N2)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C16H19N5O3S2/c1-3-9-12(14(22)24-4-2)10(18-15(23)17-9)8-26-16-19-13(20-21-16)11-6-5-7-25-11/h5-7,9H,3-4,8H2,1-2H3,(H2,17,18,23)(H,19,20,21)/t9-/m0/s1