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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=NN3C4CCCCC4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN=NN3C4CCCCC4

InChI

InChI=1S/C20H28N6OS/c1-16(28-20-21-22-23-26(20)18-10-6-3-7-11-18)19(27)25-14-12-24(13-15-25)17-8-4-2-5-9-17/h2,4-5,8-9,16,18H,3,6-7,10-15H2,1H3