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

Systemtic Name: 2,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]pyrazole-3-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C22H23N3O2S/c1-14-10-20(25(2)24-14)22(26)23-13-18-12-17-11-16(6-9-21(17)27-18)15-4-7-19(28-3)8-5-15/h4-11,18H,12-13H2,1-3H3,(H,23,26)