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

Systemtic Name: 4-[[5-(3-nitropyridin-2-yl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine Openeye Name: 4-[[5-[(3-nitro-2-pyridyl)sulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine CAS Name: 4-[[5-[(3-nitro-2-pyridinyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine IUPAC Name: 4-[[5-(3-nitropyridin-2-yl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine Traditional Name: 4-[[5-[(3-nitro-2-pyridyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c25-24(26)15-7-4-8-19-17(15)28-18-21-20-16(13-22-9-11-27-12-10-22)23(18)14-5-2-1-3-6-14/h1-8H,9-13H2