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

Systemtic Name: 4-[3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propoxy]benzonitrile Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C22H23N5O3S/c23-14-17-6-8-20(9-7-17)30-15-19(28)16-31-22-25-24-21(26-10-12-29-13-11-26)27(22)18-4-2-1-3-5-18/h1-9,19,28H,10-13,15-16H2