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

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-methyl-3-nitro-benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-2-methyl-3-nitro-benzamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-4-22-13-15-14-9(3)17(13)16-12(19)10-6-5-7-11(8(10)2)18(20)21/h5-7H,4H2,1-3H3,(H,16,19)