2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenethyl-propanamide

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenethyl-propanamide Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenethyl-propanamide CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-N-phenethylpropanamide IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-N-phenethylpropanamide Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-N-phenethyl-propionamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C20H22ClN5OS/c1-14(18(27)23-12-11-15-7-3-2-4-8-15)26-19(22)24-25-20(26)28-13-16-9-5-6-10-17(16)21/h2-10,14H,11-13H2,1H3,(H2,22,24)(H,23,27)