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

Systemtic Name: 5-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)SCC=C

InChI

InChI=1S/C16H13ClN4O2S2/c1-3-6-24-15-18-8-10(17)13(20-15)14(22)21-16-19-11-5-4-9(23-2)7-12(11)25-16/h3-5,7-8H,1,6H2,2H3,(H,19,21,22)