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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)C)Cl

InChI

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