1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzotriazole

Systemtic Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzotriazole Openeye Name: 1-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)benzotriazole CAS Name: 1-[5-nitro-6-(phenylthio)-4-pyrimidinyl]benzotriazole IUPAC Name: 1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzotriazole Traditional Name: 1-[5-nitro-6-(phenylthio)pyrimidin-4-yl]benzotriazole Formula: C16H10N6O2S MolecularWeight: 350.3546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H10N6O2S/c23-22(24)14-15(21-13-9-5-4-8-12(13)19-20-21)17-10-18-16(14)25-11-6-2-1-3-7-11/h1-10H