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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H12N6OS MolecularWeight: 324.36038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC#N)C3=NC=CN=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC#N)C3=NC=CN=C3

InChI

InChI=1S/C15H12N6OS/c1-22-12-4-2-3-11(9-12)21-14(13-10-17-6-7-18-13)19-20-15(21)23-8-5-16/h2-4,6-7,9-10H,8H2,1H3