4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]thiophene-2-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]thiophene-2-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=CS3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4S/c1-16-4-2-3-5-18(16)11-27-12-19(10-25-27)26-24(28)23-8-17(14-32-23)13-29-20-6-7-21-22(9-20)31-15-30-21/h2-10,12,14H,11,13,15H2,1H3,(H,26,28)