5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C18H18ClN5OS2 MolecularWeight: 419.95142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=NN=C(S3)SCC=C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=NN=C(S3)SCC=C)Cl

InChI

InChI=1S/C18H18ClN5OS2/c1-4-9-26-18-22-21-17(27-18)20-16(25)14-12(3)23-24(15(14)19)10-13-7-5-11(2)6-8-13/h4-8H,1,9-10H2,2-3H3,(H,20,21,25)