N-(4-iodophenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(4-iodophenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(4-iodophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(4-iodophenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(4-iodophenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(4-iodophenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C15H11IN6O3S MolecularWeight: 482.25571

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C15H11IN6O3S/c1-21-15(18-19-20-21)26-13-7-6-11(22(24)25)8-12(13)14(23)17-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,23)