2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC#N)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC#N)C3=CN=CC=C3

InChI

InChI=1S/C17H15N5OS/c1-2-23-15-8-4-3-7-14(15)22-16(13-6-5-10-19-12-13)20-21-17(22)24-11-9-18/h3-8,10,12H,2,11H2,1H3