N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2,4-thiadiazol-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2,4-thiadiazol-3-yl]pyrrolidine-2-carboxamide Openeye Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2,4-thiadiazol-3-yl]pyrrolidine-2-carboxamide CAS Name: N-(cyanomethyl)-4-methyl-1-[5-[4-(1-piperazinyl)phenyl]-1,2,4-thiadiazol-3-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazin-1-ylphenyl)-1,2,4-thiadiazol-3-yl]pyrrolidine-2-carboxamide Traditional Name: N-(cyanomethyl)-4-methyl-1-[5-(4-piperazinophenyl)-1,2,4-thiadiazol-3-yl]pyrrolidine-2-carboxamide Formula: C20H25N7OS MolecularWeight: 411.5238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=NSC(=N2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

Isomeric SMILES

CC1CC(N(C1)C2=NSC(=N2)C3=CC=C(C=C3)N4CCNCC4)C(=O)NCC#N

InChI

InChI=1S/C20H25N7OS/c1-14-12-17(18(28)23-7-6-21)27(13-14)20-24-19(29-25-20)15-2-4-16(5-3-15)26-10-8-22-9-11-26/h2-5,14,17,22H,7-13H2,1H3,(H,23,28)