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

Systemtic Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H22N4OS/c1-3-12-26-21(18-11-7-8-16(2)13-18)23-24-22(26)28-15-19-14-20(27-25-19)17-9-5-4-6-10-17/h4-11,13-14H,3,12,15H2,1-2H3