5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylphenyl)methylthio]ethyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(4-methylbenzyl)thio]ethyl]-1H-pyrazole-4-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O3S/c1-15-2-4-16(5-3-15)14-29-11-8-23-22(26)18-13-24-25-21(18)17-6-7-19-20(12-17)28-10-9-27-19/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)(H,24,25)