[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-17-24-25-23(32-2)28(17)20-10-8-18(9-11-20)22(30)31-16-21(29)27-14-12-26(13-15-27)19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3