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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]-3-nitrobenzamide IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]-3-nitro-benzamide Formula: C15H12N6O4S MolecularWeight: 372.35858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O4S/c1-25-12-5-3-2-4-10(12)20-15(17-18-19-20)26-13-7-6-9(14(16)22)8-11(13)21(23)24/h2-8H,1H3,(H2,16,22)