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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O2S/c1-3-6-16-21-22-18(24(16)23-9-4-5-10-23)27-12-17(25)20-13-7-8-15(26-2)14(19)11-13/h4-5,7-11H,3,6,12H2,1-2H3,(H,20,25)