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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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