1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]benzotriazole Formula: C17H12N6O2S MolecularWeight: 364.38118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H12N6O2S/c1-11-6-8-12(9-7-11)26-17-15(23(24)25)16(18-10-19-17)22-14-5-3-2-4-13(14)20-21-22/h2-10H,1H3