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

Systemtic Name: 5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(2-methylphenyl)methylthio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(2-methylphenyl)methylsulfanyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H17ClN4O3S3 MolecularWeight: 505.03268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H17ClN4O3S3/c1-12-5-3-4-6-13(12)11-30-20-23-10-15(22)18(25-20)19(27)26-21-24-16-8-7-14(32(2,28)29)9-17(16)31-21/h3-10H,11H2,1-2H3,(H,24,26,27)