2-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-phenyl-acetamide Formula: C24H20N6O4S MolecularWeight: 488.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NN3CC(=O)NC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NN3CC(=O)NC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H20N6O4S/c31-21(26-17-4-2-1-3-5-17)13-30-24(28-23(29-30)16-8-10-25-11-9-16)35-14-22(32)27-18-6-7-19-20(12-18)34-15-33-19/h1-12H,13-15H2,(H,26,31)(H,27,32)