2-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide

Systemtic Name: 2-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]pyrazole-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(=CC=N1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H21N3O2S/c1-24-19(9-10-23-24)21(25)22-13-17-12-16-11-15(5-8-20(16)26-17)14-3-6-18(27-2)7-4-14/h3-11,17H,12-13H2,1-2H3,(H,22,25)