3-chloranyl-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 3-chloro-N-[2-[4-methyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 3-chloro-N-[2-[4-methyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3-chloro-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 3-chloro-N-[2-[4-methyl-5-(2-pyridylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=N2)CCNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=N2)CCNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN5OS/c1-24-16(8-10-21-17(25)13-5-4-6-14(19)11-13)22-23-18(24)26-12-15-7-2-3-9-20-15/h2-7,9,11H,8,10,12H2,1H3,(H,21,25)