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

Systemtic Name: 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)N3CCOCC3

InChI

InChI=1S/C16H19N5OS/c1-2-21-15(20-6-8-22-9-7-20)18-19-16(21)23-12-14-5-3-4-13(10-14)11-17/h3-5,10H,2,6-9,12H2,1H3