5-[(2-nitrophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 5-[(2-nitrophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole Openeye Name: 1-(4-isopropylphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole CAS Name: 5-[(2-nitrophenyl)methylthio]-1-(4-propan-2-ylphenyl)tetrazole IUPAC Name: 5-[(2-nitrophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole Traditional Name: 5-[(2-nitrobenzyl)thio]-1-p-cumenyl-tetrazole Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c1-12(2)13-7-9-15(10-8-13)21-17(18-19-20-21)25-11-14-5-3-4-6-16(14)22(23)24/h3-10,12H,11H2,1-2H3