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

Systemtic Name: 3-[4-(2-methylpropyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-1-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-[[4-(2-pyrimidyl)piperazino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C18H28N8OS MolecularWeight: 404.53292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N8OS/c1-14(2)12-25-16(5-4-15(19)27)22-26(18(25)28)13-23-8-10-24(11-9-23)17-20-6-3-7-21-17/h3,6-7,14H,4-5,8-13H2,1-2H3,(H2,19,27)