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

Systemtic Name: 4-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)N4CCOCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)N4CCOCC4

InChI

InChI=1S/C22H23N5OS/c1-2-19-5-3-4-6-20(19)27-21(26-11-13-28-14-12-26)24-25-22(27)29-16-18-9-7-17(15-23)8-10-18/h3-10H,2,11-14,16H2,1H3