N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H18N4O3S2/c1-14(21(27)23-15-9-10-17-18(12-15)29-13-28-17)31-22-25-24-20(19-8-5-11-30-19)26(22)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,27)