6-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 6-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-benzylsulfanyl-6-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 6-(4-nitrophenyl)-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-benzylsulfanyl-6-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-(benzylthio)-6-(4-nitrophenyl)-[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)CSC2=NN3C=C(C=NC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C=C(C=NC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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