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

Systemtic Name: 4-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N5OS/c22-14-17-6-8-18(9-7-17)16-28-21-24-23-20(15-25-10-12-27-13-11-25)26(21)19-4-2-1-3-5-19/h1-9H,10-13,15-16H2/p+1