2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-phenethylpropanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-phenethylpropanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-phenethyl-propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H25N5OS/c1-16(19(27)23-14-12-17-8-4-2-5-9-17)26-20(22)24-25-21(26)28-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H2,22,24)(H,23,27)