N-(3-chloranyl-4-cyano-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H14ClN5OS/c1-12-22-23-18(24(12)15-5-3-2-4-6-15)26-11-17(25)21-14-8-7-13(10-20)16(19)9-14/h2-9H,11H2,1H3,(H,21,25)