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

Systemtic Name: 3-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]propanenitrile CAS Name: 3-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]propionitrile Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c17-7-4-12-23-16-19-18-15(20-8-10-22-11-9-20)21(16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,8-13H2