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

Systemtic Name: 7-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 7-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 7-[(4-nitrophenyl)methylthio]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 7-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 7-[(4-nitrobenzyl)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:

C1=CC=C(C=C1)C2=NC3=NC=NN3C(=C2)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=NC=NN3C(=C2)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O2S/c24-23(25)15-8-6-13(7-9-15)11-26-17-10-16(14-4-2-1-3-5-14)21-18-19-12-20-22(17)18/h1-10,12H,11H2