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

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C15H19N5S MolecularWeight: 301.40986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C#N)SC1=NN=C(N1N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C15H19N5S/c1-10(9-16)21-14-19-18-13(20(14)17)11-5-7-12(8-6-11)15(2,3)4/h5-8,10H,17H2,1-4H3