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

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-phenylpiperazino)-2-[(5-phenyl-1H-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=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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