3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(2-brosylethylthio)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H23BrN4O2S2 MolecularWeight: 495.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O2S2/c1-20(2,3)15-6-4-14(5-7-15)18-23-24-19(25(18)22)28-12-13-29(26,27)17-10-8-16(21)9-11-17/h4-11H,12-13,22H2,1-3H3