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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H18ClN7OS MolecularWeight: 439.92122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C20H18ClN7OS/c1-13-3-4-14(2)18(7-13)27-12-23-26-20(27)30-9-19(29)25-16-8-15(21)5-6-17(16)28-11-22-10-24-28/h3-8,10-12H,9H2,1-2H3,(H,25,29)