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

Systemtic Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(4-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(4-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S2/c1-13-2-8-16(9-3-13)28(25,26)23-17-10-18(24)22-19(21-17)27-12-15-6-4-14(11-20)5-7-15/h2-10H,12H2,1H3,(H2,21,22,23,24)