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

Systemtic Name: 4-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]butanenitrile CAS Name: 4-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5OS/c18-8-4-5-13-24-17-20-19-16(21-9-11-23-12-10-21)22(17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,9-14H2