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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2S2/c1-2-28-14-8-9-16-17(10-14)30-21(24-16)26-19(27)18-15(22)11-23-20(25-18)29-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,24,26,27)