4-(2-chloranyl-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-6-methyl-2-(p-anisylthio)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=C(C=C2)OC)C3=C(C(=CC=C3)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C20H18ClN3O5S/c1-11-16(19(25)26)18(14-4-3-5-15(17(14)21)24(27)28)23-20(22-11)30-10-12-6-8-13(29-2)9-7-12/h3-9,18H,10H2,1-2H3,(H,22,23)(H,25,26)