N-(1,3-benzodioxol-5-yl)-3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C21H17N3O3S/c1-13-16-10-19(20(25)22-15-7-8-17-18(9-15)27-12-26-17)28-21(16)24(23-13)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,25)