3-[5-(2,4-dinitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2,4-dinitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(2,4-dinitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2,4-dinitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C12H12N6O5S MolecularWeight: 352.32588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C12H12N6O5S/c1-16-11(5-4-10(13)19)14-15-12(16)24-9-3-2-7(17(20)21)6-8(9)18(22)23/h2-3,6H,4-5H2,1H3,(H2,13,19)