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

Systemtic Name: N-[3-[3-[(2-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]ethanamide Openeye Name: N-[3-[3-[(2-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-cyanophenyl)methylthio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide IUPAC Name: N-[3-[3-[(2-cyanophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-cyanobenzyl)thio]-1H-1,2,4-triazol-5-yl]phenyl]acetamide Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H15N5OS/c1-12(24)20-16-8-4-7-13(9-16)17-21-18(23-22-17)25-11-15-6-3-2-5-14(15)10-19/h2-9H,11H2,1H3,(H,20,24)(H,21,22,23)