N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-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-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-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-phenyl-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-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-3-11-26-20(16-7-5-4-6-8-16)24-25-22(26)30-15(2)21(27)23-17-9-10-18-19(14-17)29-13-12-28-18/h3-10,14-15H,1,11-13H2,2H3,(H,23,27)