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

Systemtic Name: 5-methyl-2-(2-nitrophenyl)sulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-2-(2-nitrophenyl)sulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-methyl-2-[(2-nitrophenyl)thio]-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-2-(2-nitrophenyl)sulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-2-[(2-nitrophenyl)thio]-7-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=NC2=NC(=NN2C(=C1)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)C3=CC=CC=C3)SC4=CC=CC=C4[N+](=O)[O-]

InChI

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