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

Systemtic Name: 3-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(3-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=C1)N2C(=NN=C2SCCC#N)N3CCOCC3

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=C2SCCC#N)N3CCOCC3

InChI

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