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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2C#N)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=CC=C2C#N)N3CCOCC3

InChI

InChI=1S/C18H23N5OS/c1-14(2)12-23-17(22-7-9-24-10-8-22)20-21-18(23)25-13-16-6-4-3-5-15(16)11-19/h3-6,14H,7-10,12-13H2,1-2H3