5-methyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 5-methyl-3-[[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c1-13-11-15(22-27-13)12-28-19-21-20-18(23(19)16-5-3-2-4-6-16)14-7-9-17(10-8-14)24(25)26/h2-11H,12H2,1H3