1,3-diphenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-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)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-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]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C21H17N5OS2 MolecularWeight: 419.52258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5OS2/c1-2-13-28-21-24-23-20(29-21)22-19(27)17-14-26(16-11-7-4-8-12-16)25-18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,22,23,27)