2-[[4-(phenylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(4-benzyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[4-(phenylmethyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-benzyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C15H12N6S MolecularWeight: 308.36098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)C3=NC=CN=C3

InChI

InChI=1S/C15H12N6S/c16-6-9-22-15-20-19-14(13-10-17-7-8-18-13)21(15)11-12-4-2-1-3-5-12/h1-5,7-8,10H,9,11H2