3-[4-(2-methylpropyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-[[4-(2-pyridyl)piperazino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C19H29N7OS MolecularWeight: 403.54486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=N3)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=N3)CCC(=O)N

InChI

InChI=1S/C19H29N7OS/c1-15(2)13-25-18(7-6-16(20)27)22-26(19(25)28)14-23-9-11-24(12-10-23)17-5-3-4-8-21-17/h3-5,8,15H,6-7,9-14H2,1-2H3,(H2,20,27)