(2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)propan-1-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)S[C@H](C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17(29-22-24-23-18(2)27(22)20-11-7-4-8-12-20)21(28)26-15-13-25(14-16-26)19-9-5-3-6-10-19/h3-12,17H,13-16H2,1-2H3/t17-/m1/s1