2-chloranyl-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzamide Formula: C12H12ClN5O3S MolecularWeight: 341.77338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C12H12ClN5O3S/c1-3-22-12-15-14-7(2)17(12)16-11(19)9-5-4-8(18(20)21)6-10(9)13/h4-6H,3H2,1-2H3,(H,16,19)