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

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-p-cumenylsulfonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-4-9-22-14-20-24(19(22)27)15-21-10-12-23(13-11-21)28(25,26)18-7-5-17(6-8-18)16(2)3/h4-8,14,16H,1,9-13,15H2,2-3H3