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

Systemtic Name: 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(4-benzyl-5-morpholino-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:

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N5O2S/c1-2-6-16(7-3-1)14-26-20(25-10-12-27-13-11-25)23-24-21(26)29-15-19-22-17-8-4-5-9-18(17)28-19/h1-9H,10-15H2