N-(2-chlorophenyl)-6-methyl-4-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(2-chlorophenyl)-6-methyl-4-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(2-chlorophenyl)-6-methyl-4-[(E)-3-phenylprop-2-enoyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(2-chlorophenyl)-6-methyl-4-[(E)-1-oxo-3-phenylprop-2-enyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(2-chlorophenyl)-6-methyl-4-[(E)-3-phenylprop-2-enoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(2-chlorophenyl)-6-methyl-4-[(E)-3-phenylacryloyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C(=O)C=CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)C(=O)/C=C/C2=CC=CC=C2)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-13-18(20(27)24-16-10-6-5-9-15(16)22)19(25-21(28)23-13)17(26)12-11-14-7-3-2-4-8-14/h2-12,19H,1H3,(H,24,27)(H2,23,25,28)/b12-11+