3-butyl-6-(3-methylphenyl)-5-methylsulfonyl-1H-pyrimidine-2,4-dithione

Systemtic Name: 3-butyl-6-(3-methylphenyl)-5-methylsulfonyl-1H-pyrimidine-2,4-dithione Openeye Name: 3-butyl-5-methylsulfonyl-6-(m-tolyl)-1H-pyrimidine-2,4-dithione CAS Name: 3-butyl-6-(3-methylphenyl)-5-methylsulfonyl-1H-pyrimidine-2,4-dithione IUPAC Name: 3-butyl-6-(3-methylphenyl)-5-methylsulfonyl-1H-pyrimidine-2,4-dithione Traditional Name: 3-butyl-5-mesyl-6-(m-tolyl)-1H-pyrimidine-2,4-dithione Formula: C16H20N2O2S3 MolecularWeight: 368.5372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=S)C(=C(NC1=S)C2=CC(=CC=C2)C)S(=O)(=O)C

Isomeric SMILES

CCCCN1C(=S)C(=C(NC1=S)C2=CC(=CC=C2)C)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O2S3/c1-4-5-9-18-15(21)14(23(3,19)20)13(17-16(18)22)12-8-6-7-11(2)10-12/h6-8,10H,4-5,9H2,1-3H3,(H,17,22)