5-(4-methylphenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-(4-methylphenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(p-tolylsulfanyl)-N-thiazol-2-yl-pyrimidine-4-carboxamide CAS Name: 5-[(4-methylphenyl)thio]-2-(phenylmethylthio)-N-(2-thiazolyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-(p-tolylthio)-N-thiazol-2-yl-pyrimidine-4-carboxamide Formula: C22H18N4OS3 MolecularWeight: 450.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=NC=CS3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=NC=CS3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS3/c1-15-7-9-17(10-8-15)30-18-13-24-22(29-14-16-5-3-2-4-6-16)25-19(18)20(27)26-21-23-11-12-28-21/h2-13H,14H2,1H3,(H,23,26,27)