S-[2-methyl-3-oxidanylidene-3-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]amino]propyl] ethanethioate

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]amino]propyl] ethanethioate Openeye Name: S-[3-[[1-(2-benzyloxyethyl)pyrazol-4-yl]amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[[1-(2-phenylmethoxyethyl)-4-pyrazolyl]amino]propyl] ester IUPAC Name: S-[2-methyl-3-oxo-3-[[1-(2-phenylmethoxyethyl)pyrazol-4-yl]amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[1-(2-benzoxyethyl)pyrazol-4-yl]amino]-3-keto-2-methyl-propyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CCOCC2=CC=CC=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S/c1-14(13-25-15(2)22)18(23)20-17-10-19-21(11-17)8-9-24-12-16-6-4-3-5-7-16/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,20,23)