N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C17H10N8O2S MolecularWeight: 390.3787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N8O2S/c26-25(27)14-15(21-17-20-11-6-2-4-8-13(11)28-17)18-9-19-16(14)24-12-7-3-1-5-10(12)22-23-24/h1-9H,(H,18,19,20,21)