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

Systemtic Name: 1-(4-bromophenyl)-4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(1-cyclopropyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(1-cyclopropyltetrazol-5-yl)thio]butan-1-one Formula: C14H15BrN4OS MolecularWeight: 367.2641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC1N2C(=NN=N2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H15BrN4OS/c15-11-5-3-10(4-6-11)13(20)2-1-9-21-14-16-17-18-19(14)12-7-8-12/h3-6,12H,1-2,7-9H2