1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethanone Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CSC3=NC=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CSC3=NC=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6OS/c1-13-9-16(14(2)26(13)19-22-12-23-24-19)18(27)11-28-20-21-10-17(25(20)3)15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H,22,23,24)