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

Systemtic Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-ethylpiperazino)propan-1-one Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5OS/c1-3-23-11-13-24(14-12-23)19(26)15(2)27-20-21-18(16-9-10-16)25(22-20)17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3/t15-/m0/s1