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

Systemtic Name: 4-[4-cyclopropyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[4-cyclopropyl-5-[(3-nitro-2-pyridyl)sulfanyl]-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-cyclopropyl-5-[(3-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-cyclopropyl-5-(3-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[4-cyclopropyl-5-[(3-nitro-2-pyridyl)thio]-1,2,4-triazol-3-yl]morpholine Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C14H16N6O3S/c21-20(22)11-2-1-5-15-12(11)24-14-17-16-13(19(14)10-3-4-10)18-6-8-23-9-7-18/h1-2,5,10H,3-4,6-9H2