3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one

Systemtic Name: 3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Openeye Name: 3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one CAS Name: 3-[3-[(phenacylthio)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2-benzo[h][1]benzopyranone IUPAC Name: 3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Traditional Name: 3-[3-[(phenacylthio)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Formula: C26H18N4O3S2 MolecularWeight: 498.57612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN2C(=NN=C2S1)CSCC(=O)C3=CC=CC=C3)C4=CC5=C(C6=CC=CC=C6C=C5)OC4=O

Isomeric SMILES

C1C(=NN2C(=NN=C2S1)CSCC(=O)C3=CC=CC=C3)C4=CC5=C(C6=CC=CC=C6C=C5)OC4=O

InChI

InChI=1S/C26H18N4O3S2/c31-22(17-7-2-1-3-8-17)14-34-15-23-27-28-26-30(23)29-21(13-35-26)20-12-18-11-10-16-6-4-5-9-19(16)24(18)33-25(20)32/h1-12H,13-15H2