2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC#N

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC#N

InChI

InChI=1S/C15H17N5OS/c16-6-11-22-15-18-17-14(19-7-9-21-10-8-19)20(15)12-13-4-2-1-3-5-13/h1-5H,7-12H2