2-[4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H16N4S/c1-2-22-13-20-21-18(22)23-12-14-7-9-15(10-8-14)17-6-4-3-5-16(17)11-19/h3-10,13H,2,12H2,1H3