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

Systemtic Name: 1-cyclohexyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-cyclohexyl-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-cyclohexyl-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-cyclohexyl-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-cyclohexyl-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c22-16(14-8-3-1-4-9-14)12-7-13-23-17-18-19-20-21(17)15-10-5-2-6-11-15/h2,5-6,10-11,14H,1,3-4,7-9,12-13H2