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

Systemtic Name: S-[[3-chloranyl-5-ethylsulfanyl-6-oxidanylidene-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate Openeye Name: S-[(1-benzyl-3-chloro-5-ethylsulfanyl-6-oxo-pyrazin-2-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-chloro-5-(ethylthio)-6-oxo-1-(phenylmethyl)-2-pyrazinyl]methyl] ester IUPAC Name: S-[(1-benzyl-3-chloro-5-ethylsulfanyl-6-oxopyrazin-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1-benzyl-3-chloro-5-(ethylthio)-6-keto-pyrazin-2-yl]methyl] ester Formula: C16H17ClN2O2S2 MolecularWeight: 368.90138

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(N(C1=O)CC2=CC=CC=C2)CSC(=O)C)Cl

Isomeric SMILES

CCSC1=NC(=C(N(C1=O)CC2=CC=CC=C2)CSC(=O)C)Cl

InChI

InChI=1S/C16H17ClN2O2S2/c1-3-22-15-16(21)19(9-12-7-5-4-6-8-12)13(14(17)18-15)10-23-11(2)20/h4-8H,3,9-10H2,1-2H3