2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=CN2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=CN2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N4O2S/c1-4-5-13-24-19(15-8-10-16(26-3)11-9-15)21-22-20(24)27-14-18(25)17-7-6-12-23(17)2/h6-12H,4-5,13-14H2,1-3H3