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

Systemtic Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[4-[5-[(2-cyanophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[4-[5-[(2-cyanophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[4-[5-[(2-cyanobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N5OS/c1-13(25)21-17-9-7-14(8-10-17)18-22-23-19(24(18)2)26-12-16-6-4-3-5-15(16)11-20/h3-10H,12H2,1-2H3,(H,21,25)