2-(4-methylsulfonyl-2-nitro-phenyl)-5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)-5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazole Openeye Name: 5-(4-isopropylphenyl)-2-(4-methylsulfonyl-2-nitro-phenyl)tetrazole CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)-5-(4-propan-2-ylphenyl)tetrazole IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)-5-(4-propan-2-ylphenyl)tetrazole Traditional Name: 2-(4-mesyl-2-nitro-phenyl)-5-p-cumenyl-tetrazole Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-11(2)12-4-6-13(7-5-12)17-18-20-21(19-17)15-9-8-14(27(3,25)26)10-16(15)22(23)24/h4-11H,1-3H3