2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C17H17N5O3S2/c1-10(27-17-21-20-15(22(17)18)14-3-2-8-26-14)16(23)19-11-4-5-12-13(9-11)25-7-6-24-12/h2-5,8-10H,6-7,18H2,1H3,(H,19,23)