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

Systemtic Name: 2-[4-[[3-butyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-butyl-5-isobutylsulfanyl-1,2,4-triazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-5-(2-methylpropylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-butyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-butyl-5-(isobutylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile Formula: C24H28N4S MolecularWeight: 404.57092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4S/c1-4-5-10-23-26-27-24(29-17-18(2)3)28(23)16-19-11-13-20(14-12-19)22-9-7-6-8-21(22)15-25/h6-9,11-14,18H,4-5,10,16-17H2,1-3H3