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

Systemtic Name: 5-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(propylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4O3S3 MolecularWeight: 442.9633

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H15ClN4O3S3/c1-3-6-25-15-18-8-10(17)13(20-15)14(22)21-16-19-11-5-4-9(27(2,23)24)7-12(11)26-16/h4-5,7-8H,3,6H2,1-2H3,(H,19,21,22)