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

Systemtic Name: (2R)-2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=N2)SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=N2)S[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6OS/c1-16-13-17(2)15-20(14-16)28-22(23-24-25-28)30-18(3)21(29)27-11-9-26(10-12-27)19-7-5-4-6-8-19/h4-8,13-15,18H,9-12H2,1-3H3/t18-/m1/s1