2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC4=CC=CC=C4C=C3)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC4=CC=CC=C4C=C3)N5CCOCC5

InChI

InChI=1S/C25H25N5O2S/c1-18-5-4-8-22(15-18)30-24(29-11-13-32-14-12-29)27-28-25(30)33-17-23(31)26-21-10-9-19-6-2-3-7-20(19)16-21/h2-10,15-16H,11-14,17H2,1H3,(H,26,31)