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

Systemtic Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-ethyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6S/c1-2-22-15(14-10-18-7-8-19-14)20-21-16(22)23-11-13-5-3-12(9-17)4-6-13/h3-8,10H,2,11H2,1H3