4-azanyl-3-[2-phenyl-3-(phenylmethyl)sulfonyl-propyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[2-phenyl-3-(phenylmethyl)sulfonyl-propyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-(3-benzylsulfonyl-2-phenyl-propyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[2-phenyl-3-(phenylmethyl)sulfonylpropyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-(3-benzylsulfonyl-2-phenylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-(3-benzylsulfonyl-2-phenyl-propyl)-1H-1,2,4-triazole-5-thione Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S2/c19-22-17(20-21-18(22)25)11-16(15-9-5-2-6-10-15)13-26(23,24)12-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2,(H,21,25)