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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H22N4S/c1-15(14-22)26-20-24-23-19(25(20)18-8-6-5-7-9-18)16-10-12-17(13-11-16)21(2,3)4/h5-13,15H,1-4H3