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

Systemtic Name: 2-[4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C26H23N5OS MolecularWeight: 453.55872

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H23N5OS/c27-18-22-6-4-5-9-24(22)21-12-10-20(11-13-21)19-33-26-29-28-25(30-14-16-32-17-15-30)31(26)23-7-2-1-3-8-23/h1-13H,14-17,19H2