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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=C(C=CC=N3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C18H18N6O3S/c1-13-4-6-14(7-5-13)23-17(22-9-11-27-12-10-22)20-21-18(23)28-16-15(24(25)26)3-2-8-19-16/h2-8H,9-12H2,1H3