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

Systemtic Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)N(C(=N3)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CN3C(=S)N(C(=N3)C)CC=C

InChI

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