5-(4-chloranylphenoxy)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one hydrate

Systemtic Name: 5-(4-chloranylphenoxy)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one hydrate Openeye Name: 5-(4-chlorophenoxy)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one hydrate CAS Name: 5-(4-chlorophenoxy)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one hydrate IUPAC Name: 5-(4-chlorophenoxy)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one hydrate Traditional Name: 5-(4-chlorophenoxy)-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one hydrate Formula: C19H16Cl2N2O4S MolecularWeight: 439.31234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl.O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl.O

InChI

InChI=1S/C19H14Cl2N2O3S.H2O/c1-11-17(26-15-8-6-14(21)7-9-15)18(25)23-19(22-11)27-10-16(24)12-2-4-13(20)5-3-12;/h2-9H,10H2,1H3,(H,22,23,25);1H2