2-(4-chlorophenyl)-4-thiophen-2-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile

Systemtic Name: 2-(4-chlorophenyl)-4-thiophen-2-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Openeye Name: 2-(4-chlorophenyl)-4-(2-thienyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile CAS Name: 2-(4-chlorophenyl)-4-thiophen-2-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile IUPAC Name: 2-(4-chlorophenyl)-4-thiophen-2-yl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile Traditional Name: 2-(4-chlorophenyl)-4-(2-thienyl)-2-(1,2,4-triazol-1-ylmethyl)butyronitrile Formula: C17H15ClN4S MolecularWeight: 342.8458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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