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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]butyronitrile 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(N2C3CCCC3)SCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCCC#N

InChI

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