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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-phenethyl-propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-phenethylpropanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-phenethylpropanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-phenethyl-propionamide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SC)N

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)N2C(=NN=C2SC)N

InChI

InChI=1S/C14H19N5OS/c1-10(19-13(15)17-18-14(19)21-2)12(20)16-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,17)(H,16,20)