3-[5-[3-(7-ethanoyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-[3-(7-ethanoyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-[5-[3-(7-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]benzonitrile CAS Name: 3-[5-[3-(7-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-4-methyl-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[5-[3-(7-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[5-[3-(7-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)propylthio]-4-methyl-1,2,4-triazol-3-yl]benzonitrile Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(CCN(C2)CCCSC3=NN=C(N3C)C4=CC=CC(=C4)C#N)C=C1

Isomeric SMILES

CC(=O)C1=CC2=C(CCN(C2)CCCSC3=NN=C(N3C)C4=CC=CC(=C4)C#N)C=C1

InChI

InChI=1S/C24H25N5OS/c1-17(30)20-8-7-19-9-11-29(16-22(19)14-20)10-4-12-31-24-27-26-23(28(24)2)21-6-3-5-18(13-21)15-25/h3,5-8,13-14H,4,9-12,16H2,1-2H3