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

Systemtic Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CN2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H18N4O2S/c1-3-21-16(12-6-4-7-13(10-12)23-2)19-20-17(21)24-11-15(22)14-8-5-9-18-14/h4-10,18H,3,11H2,1-2H3