2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4,5-diethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,5-diethyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=CC=CC=C2C#N

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=CC=CC=C2C#N

InChI

InChI=1S/C14H16N4S/c1-3-13-16-17-14(18(13)4-2)19-10-12-8-6-5-7-11(12)9-15/h5-8H,3-4,10H2,1-2H3