5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H17N3O3S2/c1-12-2-4-13(5-3-12)20-18(23)19-22-21-17(27-19)11-26-14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)