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

Systemtic Name: 4-chloranyl-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-benzamide Formula: C11H10ClN5O3S MolecularWeight: 327.7468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClN5O3S/c1-6-13-14-11(21-2)16(6)15-10(18)7-3-4-8(12)9(5-7)17(19)20/h3-5H,1-2H3,(H,15,18)