2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C28H28N6S MolecularWeight: 480.62712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(CCC#N)C#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C28H28N6S/c1-20(2)14-16-34-27(32-33-28(34)35-19-21(18-30)9-8-15-29)24-17-26(22-10-4-3-5-11-22)31-25-13-7-6-12-23(24)25/h3-7,10-13,17,20-21H,8-9,14,16,19H2,1-2H3