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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C#N)SC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C16H20N4S/c1-11(10-17)21-15-19-18-14(20(15)5)12-6-8-13(9-7-12)16(2,3)4/h6-9,11H,1-5H3