2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 2-(o-tolylmethylsulfanyl)-5-phenylsulfanyl-N-thiazol-2-yl-pyrimidine-4-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-5-(phenylthio)-N-(2-thiazolyl)-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-[(2-methylbenzyl)thio]-5-(phenylthio)-N-thiazol-2-yl-pyrimidine-4-carboxamide Formula: C22H18N4OS3 MolecularWeight: 450.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC=CS3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC=CS3)SC4=CC=CC=C4

InChI

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