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

Systemtic Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC2CCCCC2)C3COC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC2CCCCC2)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H28N4O3S/c1-2-13-26-21(19-15-28-17-10-6-7-11-18(17)29-19)24-25-22(26)30-14-12-20(27)23-16-8-4-3-5-9-16/h2,6-7,10-11,16,19H,1,3-5,8-9,12-15H2,(H,23,27)