N-(3,5-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C19H23N5O3S/c1-4-7-17-21-22-19(24(17)23-8-5-6-9-23)28-13-18(25)20-14-10-15(26-2)12-16(11-14)27-3/h5-6,8-12H,4,7,13H2,1-3H3,(H,20,25)