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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C11H15N5OS MolecularWeight: 265.3347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H15N5OS/c1-6-4-8(7(2)16(6)3)9(17)5-18-11-13-10(12)14-15-11/h4H,5H2,1-3H3,(H3,12,13,14,15)