2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-tosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C17H23N5O2S2/c1-3-8-20-13-18-22(17(20)25)14-19-9-11-21(12-10-19)26(23,24)16-6-4-15(2)5-7-16/h3-7,13H,1,8-12,14H2,2H3