1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-benzyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-thioxo-hexahydropyrimidin-4-one CAS Name: 1-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]sulfonyl-3-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-benzyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-benzyl-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-2-thioxo-hexahydropyrimidin-4-one Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O3S2/c1-16-14-17(2)26(23-16)19-8-10-20(11-9-19)31(28,29)25-13-12-21(27)24(22(25)30)15-18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3