4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]-3-nitro-benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c1-2-3-4-13-5-9-16(10-6-13)24-19(21-22-23-24)29-12-15-8-7-14(18(20)26)11-17(15)25(27)28/h5-11H,2-4,12H2,1H3,(H2,20,26)