3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 3-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[(2-keto-2-p-phenetyl-ethyl)thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC3=NC(=O)C(=NN32)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S/c1-2-28-15-10-8-13(9-11-15)16(26)12-29-20-23-22-19-21-18(27)17(24-25(19)20)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,21,22,27)