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

Systemtic Name: 3-methyl-5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-methyl-5-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]isoxazole IUPAC Name: 3-methyl-5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=NOC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H15N5OS/c1-13-11-16(24-22-13)12-25-18-21-20-17(14-7-9-19-10-8-14)23(18)15-5-3-2-4-6-15/h2-11H,12H2,1H3