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

Systemtic Name: N-propan-2-yl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-isopropyl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-propan-2-yl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-propan-2-yl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-isopropyl-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C15H16N4O2S MolecularWeight: 316.37814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

Isomeric SMILES

CC(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NC=NN3

InChI

InChI=1S/C15H16N4O2S/c1-9(2)18-14(20)13-11(7-22-15-16-8-17-19-15)10-5-3-4-6-12(10)21-13/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,16,17,19)