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

Systemtic Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[(4-tosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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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)C)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S2/c1-4-9-22-16(3)19-23(18(22)26)14-20-10-12-21(13-11-20)27(24,25)17-7-5-15(2)6-8-17/h4-8H,1,9-14H2,2-3H3