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

Systemtic Name: 3-[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(3-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[(3-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[(3-nitro-2-pyridyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C11H12N6O3S MolecularWeight: 308.31638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C11H12N6O3S/c1-16-9(5-4-8(12)18)14-15-11(16)21-10-7(17(19)20)3-2-6-13-10/h2-3,6H,4-5H2,1H3,(H2,12,18)