N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C19H17N5O4S2/c25-16(21-18(26)20-11-3-6-13-14(8-11)28-10-27-13)9-30-19-23-22-17(15-2-1-7-29-15)24(19)12-4-5-12/h1-3,6-8,12H,4-5,9-10H2,(H2,20,21,25,26)