1-(4-bromophenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(1-methyltetrazol-5-yl)thio]butan-1-one Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4OS/c1-17-12(14-15-16-17)19-8-2-3-11(18)9-4-6-10(13)7-5-9/h4-7H,2-3,8H2,1H3