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

Systemtic Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-phenyl-1-piperazinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-phenylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-phenylpiperazino)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-17(28-21-22-16-26(23-21)19-10-6-3-7-11-19)20(27)25-14-12-24(13-15-25)18-8-4-2-5-9-18/h2-11,16-17H,12-15H2,1H3/t17-/m0/s1