N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C26H20N6O3S2 MolecularWeight: 528.6054

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CSC(=N3)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=NC=C6

InChI

InChI=1S/C26H20N6O3S2/c33-25(28-13-17-6-7-21-22(12-17)35-16-34-21)20-14-36-23(29-20)15-37-26-31-30-24(18-8-10-27-11-9-18)32(26)19-4-2-1-3-5-19/h1-12,14H,13,15-16H2,(H,28,33)