2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-methyl-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-methyl-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbenzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-benzamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H24N4O2S/c1-30(16-21-15-28-31(18-21)17-20-9-3-2-4-10-20)26(32)23-12-6-5-11-22(23)19-34-27-29-24-13-7-8-14-25(24)33-27/h2-15,18H,16-17,19H2,1H3