N-[(2,5-dimethoxyphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanyl-acetamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[[3-(phenylthio)-2-pyrazinyl]thio]acetamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethoxybenzyl)-2-[[3-(phenylthio)pyrazin-2-yl]thio]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)CSC2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-26-16-8-9-18(27-2)15(12-16)13-24-19(25)14-28-20-21(23-11-10-22-20)29-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,24,25)