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

Systemtic Name: 1-[3-[3-(4-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[3-[3-(4-aminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[3-[3-(4-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[3-[3-(4-aminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[3-[3-(4-aminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C16H14N4OS MolecularWeight: 310.37356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4OS/c1-10(21)12-3-2-4-14(9-12)20-15(18-19-16(20)22)11-5-7-13(17)8-6-11/h2-9H,17H2,1H3,(H,19,22)