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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H14ClN5OS/c1-3-6-21-10(2)19-20-15(21)23-9-14(22)18-12-5-4-11(8-17)13(16)7-12/h3-5,7H,1,6,9H2,2H3,(H,18,22)