(2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide

Systemtic Name: (2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide Openeye Name: (2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide CAS Name: (2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)butanamide IUPAC Name: (2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide Traditional Name: (2R)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)butyramide Formula: C20H15N7O3S2 MolecularWeight: 465.5082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=C(C5=CC=CC=C5N4)N=N3

Isomeric SMILES

CC[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC4=C(C5=CC=CC=C5N4)N=N3

InChI

InChI=1S/C20H15N7O3S2/c1-2-14(18(28)24-19-22-13-8-7-10(27(29)30)9-15(13)32-19)31-20-23-17-16(25-26-20)11-5-3-4-6-12(11)21-17/h3-9,14H,2H2,1H3,(H,21,23,26)(H,22,24,28)/t14-/m1/s1