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

Systemtic Name: 1-(4-bromophenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4OS/c18-14-10-8-13(9-11-14)16(23)7-4-12-24-17-19-20-21-22(17)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2