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

Systemtic Name: 3-[4-methyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-[[4-(4-pyridyl)piperazin-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-[(4-pyridin-4-yl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-[[4-(4-pyridyl)piperazino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C16H23N7OS MolecularWeight: 361.46512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7OS/c1-20-15(3-2-14(17)24)19-23(16(20)25)12-21-8-10-22(11-9-21)13-4-6-18-7-5-13/h4-7H,2-3,8-12H2,1H3,(H2,17,24)