3-[4-ethyl-5-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C20H28N6O2S MolecularWeight: 416.54032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C)CCC(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-3-26-18(9-8-17(21)27)23-24-20(26)29-13-19(28)22-15-6-7-16(14(2)12-15)25-10-4-5-11-25/h6-7,12H,3-5,8-11,13H2,1-2H3,(H2,21,27)(H,22,28)