4-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(3-indol-1-ylpropylamino)-2-oxo-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[3-(1-indolyl)propylamino]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-(3-indol-1-ylpropylamino)-2-keto-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C22H22N5OS- MolecularWeight: 404.50798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCN3C=CC4=CC=CC=C43)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCCCN3C=CC4=CC=CC=C43)[S-]

InChI

InChI=1S/C22H23N5OS/c1-16-7-9-18(10-8-16)21-24-25-22(29)27(21)15-20(28)23-12-4-13-26-14-11-17-5-2-3-6-19(17)26/h2-3,5-11,14H,4,12-13,15H2,1H3,(H,23,28)(H,25,29)/p-1