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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C17H21N5O3S/c1-21(9-11-2-5-13-14(8-11)25-7-6-24-13)15(23)10-26-17-20-19-16(22(17)18)12-3-4-12/h2,5,8,12H,3-4,6-7,9-10,18H2,1H3