4-azanyl-3-[2-(4-methylphenyl)-3-(phenylsulfonyl)propyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[2-(4-methylphenyl)-3-(phenylsulfonyl)propyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[3-(benzenesulfonyl)-2-(p-tolyl)propyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[3-(benzenesulfonyl)-2-(4-methylphenyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[3-(benzenesulfonyl)-2-(4-methylphenyl)propyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[3-besyl-2-(p-tolyl)propyl]-1H-1,2,4-triazole-5-thione Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=NNC(=S)N2N)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC2=NNC(=S)N2N)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S2/c1-13-7-9-14(10-8-13)15(11-17-20-21-18(25)22(17)19)12-26(23,24)16-5-3-2-4-6-16/h2-10,15H,11-12,19H2,1H3,(H,21,25)