3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-14(24)21-9-11-22(12-10-21)16(25)13-27-18-20-19-17(26)23(18)8-7-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3,(H,19,26)