N-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S2/c1-12-2-8-15(9-3-12)27(24,25)22-16-10-17(23)21-18(20-16)26-11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H2,20,21,22,23)