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

Systemtic Name: 4-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C27H27N5O2S/c1-20-6-5-9-24(18-20)32-26(31-14-16-34-17-15-31)29-30-27(32)35-19-21-10-12-22(13-11-21)25(33)28-23-7-3-2-4-8-23/h2-13,18H,14-17,19H2,1H3,(H,28,33)