4-nitro-6-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-2,1,3-benzothiadiazole

Systemtic Name: 4-nitro-6-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-2,1,3-benzothiadiazole Openeye Name: 6-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-4-nitro-2,1,3-benzothiadiazole CAS Name: 4-nitro-6-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-2,1,3-benzothiadiazole IUPAC Name: 4-nitro-6-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-2,1,3-benzothiadiazole Traditional Name: 6-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-4-nitro-piazthiole Formula: C18H13N7O2S2 MolecularWeight: 423.47152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC4=CC5=NSN=C5C(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SC4=CC5=NSN=C5C(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O2S2/c1-9(2)24-13-6-4-3-5-11(13)15-17(24)19-18(21-20-15)28-10-7-12-16(23-29-22-12)14(8-10)25(26)27/h3-9H,1-2H3