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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCCC#N

InChI

InChI=1S/C21H24N4OS/c1-21(2,3)17-10-8-16(9-11-17)19-23-24-20(27-14-5-4-12-22)25(19)15-18-7-6-13-26-18/h6-11,13H,4-5,14-15H2,1-3H3