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

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Formula: C19H27N5O2S2 MolecularWeight: 421.57998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H27N5O2S2/c1-2-23-18(17-8-9-17)20-24(19(23)27)15-21-10-12-22(13-11-21)28(25,26)14-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3