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

Systemtic Name: 1-(4-bromophenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-(4-bromophenyl)-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-(4-bromophenyl)-3-[(1-phenyltetrazol-5-yl)thio]propan-1-one Formula: C16H13BrN4OS MolecularWeight: 389.26962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4OS/c17-13-8-6-12(7-9-13)15(22)10-11-23-16-18-19-20-21(16)14-4-2-1-3-5-14/h1-9H,10-11H2