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

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[1-(4-butylphenyl)-5-tetrazolyl]thio]-3-nitrobenzamide IUPAC Name: 4-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]thio]-3-nitro-benzamide Formula: C18H18N6O3S MolecularWeight: 398.43892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c1-2-3-4-12-5-8-14(9-6-12)23-18(20-21-22-23)28-16-10-7-13(17(19)25)11-15(16)24(26)27/h5-11H,2-4H2,1H3,(H2,19,25)