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

Systemtic Name: 4-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCCCC#N)C3=CN=CC=C3

InChI

InChI=1S/C19H19N5OS/c1-2-25-17-10-4-3-9-16(17)24-18(15-8-7-12-21-14-15)22-23-19(24)26-13-6-5-11-20/h3-4,7-10,12,14H,2,5-6,13H2,1H3