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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C23H30N4O3S/c1-3-11-27-22(18-7-5-4-6-8-18)24-25-23(27)31-16-21(28)26(2)15-17-9-10-19-20(14-17)30-13-12-29-19/h3,9-10,14,18H,1,4-8,11-13,15-16H2,2H3