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

Systemtic Name: S-[3-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]amino]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[1-(3-cyanobenzyl)pyrazol-4-yl]amino]-3-keto-2-methyl-propyl] ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(CSC(=O)C)C(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H18N4O2S/c1-12(11-24-13(2)22)17(23)20-16-8-19-21(10-16)9-15-5-3-4-14(6-15)7-18/h3-6,8,10,12H,9,11H2,1-2H3,(H,20,23)