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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20ClN5O3S MolecularWeight: 433.9118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=CN3CC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NN=CN3CC=C

InChI

InChI=1S/C19H20ClN5O3S/c1-3-9-25-11-21-24-19(25)29-10-14-15(17(26)28-4-2)16(23-18(27)22-14)12-5-7-13(20)8-6-12/h3,5-8,11,16H,1,4,9-10H2,2H3,(H2,22,23,27)