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

Systemtic Name: ethyl 2-[4-methyl-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3S/c1-3-27-18(26)13-16-20-21-19(22(16)2)28-14-17(25)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3