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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: N-methyl-N-phenyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-18(25(31)29(2)21-11-7-4-8-12-21)34-26-28-27-24(20-9-5-3-6-10-20)30(26)16-19-13-14-22-23(15-19)33-17-32-22/h3-15,18H,16-17H2,1-2H3