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

Systemtic Name: 2-chloranyl-N-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-[(1-methyl-5-tetrazolyl)thio]propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-[(1-methyltetrazol-5-yl)thio]propyl]-5-nitro-benzamide Formula: C12H13ClN6O3S MolecularWeight: 356.78802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=NN=N1)SCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H13ClN6O3S/c1-18-12(15-16-17-18)23-6-2-5-14-11(20)9-7-8(19(21)22)3-4-10(9)13/h3-4,7H,2,5-6H2,1H3,(H,14,20)