2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(phenylthio)propyl]acetamide Formula: C13H17N5OS2 MolecularWeight: 323.43698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS2/c14-12-16-13(18-17-12)21-9-11(19)15-7-4-8-20-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,19)(H3,14,16,17,18)