N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H29N5O5S2 MolecularWeight: 483.60476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H29N5O5S2/c1-3-10-25-19(27)22-23-20(25)31-14-18(26)21-16-13-15(8-9-17(16)30-2)32(28,29)24-11-6-4-5-7-12-24/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,21,26)(H,22,27)