4-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCC#N)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCC#N)N3CCOCC3

InChI

InChI=1S/C17H21N5OS/c1-14-6-2-3-7-15(14)22-16(21-9-11-23-12-10-21)19-20-17(22)24-13-5-4-8-18/h2-3,6-7H,4-5,9-13H2,1H3