5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C20H15ClN4O3S3 MolecularWeight: 491.0061

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4O3S3/c1-31(27,28)13-7-8-15-16(9-13)30-20(23-15)25-18(26)17-14(21)10-22-19(24-17)29-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,23,25,26)