3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C21H28N4S MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCCC#N

InChI

InChI=1S/C21H28N4S/c1-21(2,3)17-12-10-16(11-13-17)19-23-24-20(26-15-7-14-22)25(19)18-8-5-4-6-9-18/h10-13,18H,4-9,15H2,1-3H3