2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylpropanamide IUPAC Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-propionamide Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H19ClN4OS/c1-14(18(25)21-11-10-15-6-3-2-4-7-15)26-19-23-22-13-24(19)17-9-5-8-16(20)12-17/h2-9,12-14H,10-11H2,1H3,(H,21,25)