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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-methoxyphenyl)-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=CC(=C1)N2C=NN=C2SCC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC#N

InChI

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