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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-N-(4-phenoxyphenyl)benzamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitro-N-(4-phenoxyphenyl)benzamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-(4-phenoxyphenyl)benzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-N-(4-phenoxyphenyl)benzamide Formula: C21H16N6O4S MolecularWeight: 448.45454

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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)OC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H16N6O4S/c1-26-21(23-24-25-26)32-19-12-9-15(27(29)30)13-18(19)20(28)22-14-7-10-17(11-8-14)31-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,28)