N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[5-[(2-cyanophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[5-[(2-cyanobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5OS/c1-2-30-23(28-29-25(30)32-17-21-11-7-6-10-20(21)16-26)18-12-14-22(15-13-18)27-24(31)19-8-4-3-5-9-19/h3-15H,2,17H2,1H3,(H,27,31)