2,4-bis(chloranyl)-1-methyl-benzene; 1-(2-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one; propanamide

Systemtic Name: 2,4-bis(chloranyl)-1-methyl-benzene; 1-(2-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one; propanamide Openeye Name: 2,4-dichloro-1-methyl-benzene; 6-hydroxy-1-(o-tolyl)-2-thioxo-pyrimidin-4-one; propanamide CAS Name: 2,4-dichloro-1-methylbenzene; 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidene-4-pyrimidinone; propanamide IUPAC Name: 2,4-dichloro-1-methylbenzene; 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one; propanamide Traditional Name: 2,4-dichloro-1-methyl-benzene; 6-hydroxy-1-(o-tolyl)-2-thioxo-pyrimidin-4-one; propionamide Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N.CC1=C(C=C(C=C1)Cl)Cl.CC1=CC=CC=C1N2C(=CC(=O)NC2=S)O

Isomeric SMILES

CCC(=O)N.CC1=C(C=C(C=C1)Cl)Cl.CC1=CC=CC=C1N2C(=CC(=O)NC2=S)O

InChI

InChI=1S/C11H10N2O2S.C7H6Cl2.C3H7NO/c1-7-4-2-3-5-8(7)13-10(15)6-9(14)12-11(13)16;1-5-2-3-6(8)4-7(5)9;1-2-3(4)5/h2-6,15H,1H3,(H,12,14,16);2-4H,1H3;2H2,1H3,(H2,4,5)