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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC(=C3)C#N)N4CCOCC4

InChI

InChI=1S/C21H21N5OS/c1-16-5-2-3-8-19(16)26-20(25-9-11-27-12-10-25)23-24-21(26)28-15-18-7-4-6-17(13-18)14-22/h2-8,13H,9-12,15H2,1H3