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

Systemtic Name: 1-(azepan-1-yl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O2S/c1-2-24-15-9-7-14(8-10-15)17-19-20-18(25)22(17)13-16(23)21-11-5-3-4-6-12-21/h7-10H,2-6,11-13H2,1H3,(H,20,25)