(4-cyanophenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (4-cyanophenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (4-cyanophenyl) 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-cyanophenyl) ester Formula: C22H15N5O2S MolecularWeight: 413.4518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=C(C=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3=CC=C(C=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C22H15N5O2S/c23-13-16-8-10-19(11-9-16)29-20(28)15-30-22-26-25-21(17-5-4-12-24-14-17)27(22)18-6-2-1-3-7-18/h1-12,14H,15H2