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

Systemtic Name: 3-[5-(2-cyano-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-cyano-4-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-cyano-4-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(2-cyano-4-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-cyano-4-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O3S/c1-18-12(5-4-11(15)20)16-17-13(18)23-10-3-2-9(19(21)22)6-8(10)7-14/h2-3,6H,4-5H2,1H3,(H2,15,20)