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

Systemtic Name: 2-[4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)N4CCOCC4

InChI

InChI=1S/C22H23N5OS/c1-2-27-21(26-11-13-28-14-12-26)24-25-22(27)29-16-17-7-9-18(10-8-17)20-6-4-3-5-19(20)15-23/h3-10H,2,11-14,16H2,1H3