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

Systemtic Name: 3-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]propionitrile Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCCC#N)N3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCCC#N)N3CCOCC3

InChI

InChI=1S/C17H21N5OS/c1-2-14-6-3-4-7-15(14)22-16(21-9-11-23-12-10-21)19-20-17(22)24-13-5-8-18/h3-4,6-7H,2,5,9-13H2,1H3