N-aminocarbonyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: N-carbamoyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1CC=C)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H19N5O4S/c1-3-8-22-14(13-9-25-11-6-4-5-7-12(11)26-13)20-21-17(22)27-10(2)15(23)19-16(18)24/h3-7,10,13H,1,8-9H2,2H3,(H3,18,19,23,24)