2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butanenitrile

Systemtic Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butanenitrile Openeye Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butanenitrile CAS Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butanenitrile IUPAC Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butanenitrile Traditional Name: 2-[(3-ethyl-1,2,4-triazol-1-yl)methyl]-2-(3-methylsulfinylphenyl)butyronitrile Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=N1)CC(CC)(C#N)C2=CC(=CC=C2)S(=O)C

Isomeric SMILES

CCC1=NN(C=N1)CC(CC)(C#N)C2=CC(=CC=C2)S(=O)C

InChI

InChI=1S/C16H20N4OS/c1-4-15-18-12-20(19-15)11-16(5-2,10-17)13-7-6-8-14(9-13)22(3)21/h6-9,12H,4-5,11H2,1-3H3