2-[4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-5-(phenylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-butyl-5-(phenylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile Formula: C26H24N4S MolecularWeight: 424.56056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SC4=CC=CC=C4

InChI

InChI=1S/C26H24N4S/c1-2-3-13-25-28-29-26(31-23-10-5-4-6-11-23)30(25)19-20-14-16-21(17-15-20)24-12-8-7-9-22(24)18-27/h4-12,14-17H,2-3,13,19H2,1H3