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

Systemtic Name: 4-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-morpholino-4-(m-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=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C#N)N4CCOCC4

InChI

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