5-cyclopropyl-4-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-methyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Formula: C18H25N5O2S2 MolecularWeight: 407.5534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C18H25N5O2S2/c1-20-17(16-7-8-16)19-23(18(20)26)14-21-9-11-22(12-10-21)27(24,25)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3