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

Systemtic Name: 1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11(22)12-4-6-14(7-5-12)21-17(19-20-18(21)25)13-8-15(23-2)10-16(9-13)24-3/h4-10H,1-3H3,(H,20,25)