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

Systemtic Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-cyclohexyl-3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2CCCCC2)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2CCCCC2)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H26N4O3S/c1-24-19(17-13-26-15-9-5-6-10-16(15)27-17)22-23-20(24)28-12-11-18(25)21-14-7-3-2-4-8-14/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3,(H,21,25)