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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-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-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C17H15ClN4O2S2 MolecularWeight: 406.9096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

InChI=1S/C17H15ClN4O2S2/c1-3-7-25-16-19-9-11(18)14(21-16)15(23)22-17-20-12-6-5-10(24-4-2)8-13(12)26-17/h3,5-6,8-9H,1,4,7H2,2H3,(H,20,22,23)