3,5-bis(chloranyl)-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5-dichloro-4-methoxy-benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3,5-dichloro-4-methoxy-benzamide Formula: C13H11Cl2N3O2S2 MolecularWeight: 376.28134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC2=NN=C(S2)SCC=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC2=NN=C(S2)SCC=C)Cl

InChI

InChI=1S/C13H11Cl2N3O2S2/c1-3-4-21-13-18-17-12(22-13)16-11(19)7-5-8(14)10(20-2)9(15)6-7/h3,5-6H,1,4H2,2H3,(H,16,17,19)