2-chloranyl-N-[1-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]propanamide

Systemtic Name: 2-chloranyl-N-[1-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]propanamide Openeye Name: 2-chloro-N-[1-[5-(o-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]propanamide CAS Name: 2-chloro-N-[1-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]propanamide IUPAC Name: 2-chloro-N-[1-[4-(4-methylphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]propanamide Traditional Name: 2-chloro-N-[1-[5-[(2-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]propionamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C(C)NC(=O)C(C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C(C)NC(=O)C(C)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-14-9-11-19(12-10-14)27-20(17(4)24-21(28)16(3)23)25-26-22(27)29-13-18-8-6-5-7-15(18)2/h5-12,16-17H,13H2,1-4H3,(H,24,28)