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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C15H16N6OS/c1-9-7-11(10(2)21(9)13-5-3-4-6-17-13)12(22)8-23-15-18-14(16)19-20-15/h3-7H,8H2,1-2H3,(H3,16,18,19,20)