2-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 2-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Openeye Name: 2-(4-chlorophenyl)-2-(2-thienylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile CAS Name: 2-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 2-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanenitrile Traditional Name: 2-(4-chlorophenyl)-2-(2-thenyl)-3-(1,2,4-triazol-1-yl)propionitrile Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4S/c17-14-5-3-13(4-6-14)16(9-18,8-15-2-1-7-22-15)10-21-12-19-11-20-21/h1-7,11-12H,8,10H2