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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H10N4OS MolecularWeight: 246.2883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC#N

InChI

InChI=1S/C11H10N4OS/c1-16-9-4-2-8(3-5-9)10-13-11(15-14-10)17-7-6-12/h2-5H,7H2,1H3,(H,13,14,15)