N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H20N4O3S/c1-4-7-21-12(3)19-20-17(21)25-11(2)16(22)18-13-5-6-14-15(10-13)24-9-8-23-14/h4-6,10-11H,1,7-9H2,2-3H3,(H,18,22)