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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H18N6O4S/c17-22-14(9-1-2-9)20-21-16(22)27-8-13(23)19-15(24)18-10-3-4-11-12(7-10)26-6-5-25-11/h3-4,7,9H,1-2,5-6,8,17H2,(H2,18,19,23,24)