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

Systemtic Name: 3-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC(=C4)C#N

InChI

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