ethyl 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H21ClN4O2S/c1-3-30-22(29)19-14(2)25-23(31)26-21(19)18-13-28(17-7-5-4-6-8-17)27-20(18)15-9-11-16(24)12-10-15/h4-13,19,21H,2-3H2,1H3,(H2,25,26,31)