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

Systemtic Name: 4-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C17H14N6S MolecularWeight: 334.39826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6S/c1-2-9-23-16(15-11-19-7-8-20-15)21-22-17(23)24-12-14-5-3-13(10-18)4-6-14/h2-8,11H,1,9,12H2