3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzofuran-2-carboxamide CAS Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-(1,3,5-trimethyl-4-pyrazolyl)-2-benzofurancarboxamide IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)coumarilamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C18H18N6O2S/c1-10-15(11(2)24(3)23-10)21-17(25)16-13(8-27-18-19-9-20-22-18)12-6-4-5-7-14(12)26-16/h4-7,9H,8H2,1-3H3,(H,21,25)(H,19,20,22)