3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzofuran-2-carboxamide CAS Name: 3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-2-benzofurancarboxamide IUPAC Name: 3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,6,7-trimethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]coumarilamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCCSC3=NN=CN3C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCCSC3=NN=CN3C)C)C

InChI

InChI=1S/C17H20N4O2S/c1-10-5-6-13-12(3)15(23-14(13)11(10)2)16(22)18-7-8-24-17-20-19-9-21(17)4/h5-6,9H,7-8H2,1-4H3,(H,18,22)