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

Systemtic Name: 2-[4-[[3-butyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-butyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-5-(cyclohexylmethylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-butyl-5-(cyclohexylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-butyl-5-(cyclohexylmethylthio)-1,2,4-triazol-4-yl]methyl]phenyl]benzonitrile Formula: C27H32N4S MolecularWeight: 444.63478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SCC4CCCCC4

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)SCC4CCCCC4

InChI

InChI=1S/C27H32N4S/c1-2-3-13-26-29-30-27(32-20-22-9-5-4-6-10-22)31(26)19-21-14-16-23(17-15-21)25-12-8-7-11-24(25)18-28/h7-8,11-12,14-17,22H,2-6,9-10,13,19-20H2,1H3