2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC#N)N3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC#N)N3CCOCC3

InChI

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