7-methyl-2-(2-nitrophenyl)sulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 7-methyl-2-(2-nitrophenyl)sulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-methyl-2-(2-nitrophenyl)sulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-methyl-2-[(2-nitrophenyl)thio]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-methyl-2-(2-nitrophenyl)sulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-methyl-2-[(2-nitrophenyl)thio]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H13N5O2S/c1-12-11-14(13-7-3-2-4-8-13)19-17-20-18(21-22(12)17)26-16-10-6-5-9-15(16)23(24)25/h2-11H,1H3