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

Systemtic Name: 4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Openeye Name: 4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCCC#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCCC#N

InChI

InChI=1S/C16H19N5OS/c17-8-4-5-13-23-16-19-18-15(20-9-11-22-12-10-20)21(16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,9-13H2