4-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(4-pyridyl)-2-[[4-[(E)-styryl]sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(4-pyridyl)-2-[[4-[(E)-styryl]sulfonylpiperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H24N6O2S2 MolecularWeight: 456.58426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H24N6O2S2/c1-24-20(19-7-10-22-11-8-19)23-27(21(24)30)17-25-12-14-26(15-13-25)31(28,29)16-9-18-5-3-2-4-6-18/h2-11,16H,12-15,17H2,1H3/b16-9+