3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-thiophen-2-yl-propanenitrile

Systemtic Name: 3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-thiophen-2-yl-propanenitrile Openeye Name: 3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-(2-thienyl)propanenitrile CAS Name: 3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-thiophen-2-ylpropanenitrile IUPAC Name: 3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-thiophen-2-ylpropanenitrile Traditional Name: 3-[3-[2-(4-chlorophenyl)ethyl]-1,2,4-triazol-1-yl]-2-(2-thienyl)propionitrile Formula: C17H15ClN4S MolecularWeight: 342.8458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CN2C=NC(=N2)CCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CSC(=C1)C(CN2C=NC(=N2)CCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H15ClN4S/c18-15-6-3-13(4-7-15)5-8-17-20-12-22(21-17)11-14(10-19)16-2-1-9-23-16/h1-4,6-7,9,12,14H,5,8,11H2