1-[4-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C16H12ClN3OS MolecularWeight: 329.80398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3OS/c1-10(21)11-4-8-14(9-5-11)20-15(18-19-16(20)22)12-2-6-13(17)7-3-12/h2-9H,1H3,(H,19,22)