5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrimidine-4-carboxamide Formula: C22H17ClN4OS2 MolecularWeight: 452.97958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NC(=NC=C4Cl)SCC=C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NC(=NC=C4Cl)SCC=C

InChI

InChI=1S/C22H17ClN4OS2/c1-3-10-29-22-24-12-16(23)19(27-22)20(28)25-15-7-5-14(6-8-15)21-26-17-9-4-13(2)11-18(17)30-21/h3-9,11-12H,1,10H2,2H3,(H,25,28)