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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-benzyl-acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(phenylmethyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-benzylacetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-benzyl-acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H19N5OS/c19-17-21-22-18(25-13-15-9-5-2-6-10-15)23(17)12-16(24)20-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,19,21)(H,20,24)