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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-phenethyl-propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-phenethylpropanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-phenethylpropanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-phenethyl-propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H23N5OS/c1-15(18(26)22-13-12-16-8-4-2-5-9-16)25-19(21)23-24-20(25)27-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H2,21,23)(H,22,26)