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

Systemtic Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C18H18N6OS MolecularWeight: 366.44012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C18H18N6OS/c1-11-8-13(12(2)24(11)17-19-10-20-22-17)16(25)9-26-18-21-14-6-4-5-7-15(14)23(18)3/h4-8,10H,9H2,1-3H3,(H,19,20,22)