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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N5OS/c1-13-3-2-4-16(9-13)18-22-23-19(24(18)11-17(21)25)26-12-15-7-5-14(10-20)6-8-15/h2-9H,11-12H2,1H3,(H2,21,25)