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

Systemtic Name: 1-(azepan-1-yl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C16H19ClN4OS MolecularWeight: 350.86626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4OS/c17-13-7-5-12(6-8-13)15-18-19-16(23)21(15)11-14(22)20-9-3-1-2-4-10-20/h5-8H,1-4,9-11H2,(H,19,23)