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

Systemtic Name: N-cycloheptyl-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3CCCCCC3

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C17H25N5OS/c1-2-15-19-20-17(22(15)21-11-7-8-12-21)24-13-16(23)18-14-9-5-3-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3,(H,18,23)