S-[[3-chloranyl-6-oxidanylidene-5-phenyl-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate

Systemtic Name: S-[[3-chloranyl-6-oxidanylidene-5-phenyl-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate Openeye Name: S-[(1-benzyl-3-chloro-6-oxo-5-phenyl-pyrazin-2-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-chloro-6-oxo-5-phenyl-1-(phenylmethyl)-2-pyrazinyl]methyl] ester IUPAC Name: S-[(1-benzyl-3-chloro-6-oxo-5-phenylpyrazin-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(1-benzyl-3-chloro-6-keto-5-phenyl-pyrazin-2-yl)methyl] ester Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)SCC1=C(N=C(C(=O)N1CC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O2S/c1-14(24)26-13-17-19(21)22-18(16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3