2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)N5CCOCC5

InChI

InChI=1S/C21H21N5O2S/c1-15-5-4-6-16(13-15)26-20(25-9-11-27-12-10-25)23-24-21(26)29-14-19-22-17-7-2-3-8-18(17)28-19/h2-8,13H,9-12,14H2,1H3