2-phenylsulfanyl-N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[(5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl)methyl]acetamide CAS Name: 2-(phenylthio)-N-[[5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[(5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide Traditional Name: 2-(phenylthio)-N-[(5-pyrazin-2-ylcoumaran-2-yl)methyl]acetamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)C3=NC=CN=C3)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)C3=NC=CN=C3)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c25-21(14-27-18-4-2-1-3-5-18)24-12-17-11-16-10-15(6-7-20(16)26-17)19-13-22-8-9-23-19/h1-10,13,17H,11-12,14H2,(H,24,25)