N-[3-[3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H18N6OS MolecularWeight: 390.46152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H18N6OS/c1-15(27)23-17-4-2-5-19(12-17)25-14-21-24-20(25)28-13-16-6-8-18(9-7-16)26-11-3-10-22-26/h2-12,14H,13H2,1H3,(H,23,27)