N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C22H19N5OS2/c1-2-14-29-22-26-25-21(30-22)24-20(28)19-7-4-3-6-18(19)17-10-8-16(9-11-17)15-27-13-5-12-23-27/h2-13H,1,14-15H2,(H,24,25,28)