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

Systemtic Name: 2-chloranyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-5-nitro-benzamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-chloro-5-nitro-benzamide CAS Name: 2-chloro-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-5-nitrobenzamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-chloro-5-nitro-benzamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C17H14ClN5O3S/c1-11-19-20-17(27-10-12-5-3-2-4-6-12)22(11)21-16(24)14-9-13(23(25)26)7-8-15(14)18/h2-9H,10H2,1H3,(H,21,24)