5-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H17ClN4OS2 MolecularWeight: 440.96888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4C

InChI

InChI=1S/C21H17ClN4OS2/c1-12-7-8-16-17(9-12)29-21(24-16)26-19(27)18-15(22)10-23-20(25-18)28-11-14-6-4-3-5-13(14)2/h3-10H,11H2,1-2H3,(H,24,26,27)