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

Systemtic Name: 4-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(2-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCCCC#N)N3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCCCC#N)N3CCOCC3

InChI

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