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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[2-(benzylthio)ethyl]acetamide Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C16H21N5OS2/c17-21-15(13-6-7-13)19-20-16(21)24-11-14(22)18-8-9-23-10-12-4-2-1-3-5-12/h1-5,13H,6-11,17H2,(H,18,22)