2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C25H25N5S MolecularWeight: 427.5645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SC(C)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SC(C)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H25N5S/c1-17(2)13-14-30-24(28-29-25(30)31-18(3)16-26)21-15-23(19-9-5-4-6-10-19)27-22-12-8-7-11-20(21)22/h4-12,15,17-18H,13-14H2,1-3H3