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

Systemtic Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-methyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-methyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C[NH+]3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C[NH+]3CCOCC3

InChI

InChI=1S/C16H19N5OS/c1-20-15(11-21-6-8-22-9-7-21)18-19-16(20)23-12-14-5-3-2-4-13(14)10-17/h2-5H,6-9,11-12H2,1H3/p+1