2-methyl-5-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole

Systemtic Name: 2-methyl-5-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole Openeye Name: 4-[1-(benzenesulfonyl)propyl]-2-methyl-5-nitro-benzotriazole CAS Name: 4-[1-(benzenesulfonyl)propyl]-2-methyl-5-nitrobenzotriazole IUPAC Name: 4-[1-(benzenesulfonyl)propyl]-2-methyl-5-nitrobenzotriazole Traditional Name: 4-(1-besylpropyl)-2-methyl-5-nitro-benzotriazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC2=NN(N=C21)C)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=C(C=CC2=NN(N=C21)C)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4S/c1-3-14(25(23,24)11-7-5-4-6-8-11)15-13(20(21)22)10-9-12-16(15)18-19(2)17-12/h4-10,14H,3H2,1-2H3