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

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionitrile Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C15H17N5OS/c1-12(11-16)22-15-18-17-14(19-7-9-21-10-8-19)20(15)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3