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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC3=C(C=C2)OCCO3)C4=CC=CS4

InChI

InChI=1S/C20H22N4O3S2/c1-3-24-19(17-5-4-10-28-17)21-22-20(24)29-13-18(25)23(2)12-14-6-7-15-16(11-14)27-9-8-26-15/h4-7,10-11H,3,8-9,12-13H2,1-2H3