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

Systemtic Name: 4-[4-(4-methylphenyl)-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-[(5-nitro-2-pyridyl)sulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[4-(4-methylphenyl)-5-[(5-nitro-2-pyridinyl)thio]-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[4-(4-methylphenyl)-5-(5-nitropyridin-2-yl)sulfanyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[(5-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=NC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

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