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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[(1-cyclopropyl-5-tetrazolyl)thio]-1-phenyl-1-butanone IUPAC Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[(1-cyclopropyltetrazol-5-yl)thio]-1-phenyl-butan-1-one Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4OS/c19-13(11-5-2-1-3-6-11)7-4-10-20-14-15-16-17-18(14)12-8-9-12/h1-3,5-6,12H,4,7-10H2