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

Systemtic Name: 8-nitro-3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Openeye Name: 8-nitro-3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one CAS Name: 8-nitro-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: 8-nitro-3-[3-(phenacylsulfanylmethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Traditional Name: 8-nitro-3-[3-[(phenacylthio)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzo[h]chromen-2-one Formula: C26H17N5O5S2 MolecularWeight: 543.57368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN2C(=NN=C2S1)CSCC(=O)C3=CC=CC=C3)C4=CC5=C(C6=C(C=C5)C=C(C=C6)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1C(=NN2C(=NN=C2S1)CSCC(=O)C3=CC=CC=C3)C4=CC5=C(C6=C(C=C5)C=C(C=C6)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C26H17N5O5S2/c32-22(15-4-2-1-3-5-15)13-37-14-23-27-28-26-30(23)29-21(12-38-26)20-11-17-7-6-16-10-18(31(34)35)8-9-19(16)24(17)36-25(20)33/h1-11H,12-14H2