2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C13H19N5OS MolecularWeight: 293.38786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NNC(=N2)N)C

InChI

InChI=1S/C13H19N5OS/c1-4-5-18-8(2)6-10(9(18)3)11(19)7-20-13-15-12(14)16-17-13/h6H,4-5,7H2,1-3H3,(H3,14,15,16,17)