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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H15N5OS/c19-11-10-13-6-8-15(9-7-13)20-16(24)12-25-18-21-17(22-23-18)14-4-2-1-3-5-14/h1-9H,10,12H2,(H,20,24)(H,21,22,23)