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

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-2-25-18-12-10-17(11-13-18)24-19(16-8-4-3-5-9-16)22-23-20(24)26-15-7-6-14-21/h3-5,8-13H,2,6-7,15H2,1H3