2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H17N5O5S/c22-13(8-27-16-20-19-15(24)21(16)10-2-3-10)18-14(23)17-9-1-4-11-12(7-9)26-6-5-25-11/h1,4,7,10H,2-3,5-6,8H2,(H,19,24)(H2,17,18,22,23)