5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-(3,4-dimethylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-(3,4-dimethylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole CAS Name: 5-[2-(4-bromophenyl)sulfonylethylthio]-1-(3,4-dimethylphenyl)tetrazole IUPAC Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole Traditional Name: 5-(2-brosylethylthio)-1-(3,4-dimethylphenyl)tetrazole Formula: C17H17BrN4O2S2 MolecularWeight: 453.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C17H17BrN4O2S2/c1-12-3-6-15(11-13(12)2)22-17(19-20-21-22)25-9-10-26(23,24)16-7-4-14(18)5-8-16/h3-8,11H,9-10H2,1-2H3