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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3C)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3C)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S2/c1-11(27-18-21-20-16(22(18)2)15-4-3-9-26-15)17(23)19-12-5-6-13-14(10-12)25-8-7-24-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,23)