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

Systemtic Name: 3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCCC#N)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCC#N)N3CCOCC3

InChI

InChI=1S/C16H19N5OS/c1-13-4-2-5-14(12-13)21-15(20-7-9-22-10-8-20)18-19-16(21)23-11-3-6-17/h2,4-5,12H,3,7-11H2,1H3