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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]acetamide Formula: C18H15ClN6OS MolecularWeight: 398.8693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C

InChI

InChI=1S/C18H15ClN6OS/c1-11-3-6-16(12(2)7-11)25-18(22-23-24-25)27-10-17(26)21-14-5-4-13(9-20)15(19)8-14/h3-8H,10H2,1-2H3,(H,21,26)