N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H12N6O2S2 MolecularWeight: 432.47828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H12N6O2S2/c27-26(28)17-18(25-20-24-13-7-1-2-8-14(13)30-20)22-11-23-19(17)29-15-9-3-5-12-6-4-10-21-16(12)15/h1-11H,(H,22,23,24,25)