2-[5-[(4-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-[(4-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[5-[(4-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[5-[[(4-chlorophenyl)thio]methyl]-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[5-[(4-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[5-[[(4-chlorophenyl)thio]methyl]-1H-1,2,4-triazol-3-yl]acetonitrile Formula: C11H9ClN4S MolecularWeight: 264.73396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=NC(=NN2)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC2=NC(=NN2)CC#N)Cl

InChI

InChI=1S/C11H9ClN4S/c12-8-1-3-9(4-2-8)17-7-11-14-10(5-6-13)15-16-11/h1-4H,5,7H2,(H,14,15,16)