(2S)-1-(4-ethylpiperazin-1-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazinyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazino)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H32N6OS/c1-3-25-14-16-26(17-15-25)20(29)18(2)30-22-24-23-21(27-12-8-5-9-13-27)28(22)19-10-6-4-7-11-19/h4,6-7,10-11,18H,3,5,8-9,12-17H2,1-2H3/t18-/m0/s1