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

Systemtic Name: 3-[3-cyclopropyl-5-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CCC(=O)N)C4CC4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CCC(=O)N)C4CC4

InChI

InChI=1S/C20H26N6O2S/c21-17(27)9-12-26-19(14-3-4-14)23-24-20(26)29-13-18(28)22-15-5-7-16(8-6-15)25-10-1-2-11-25/h5-8,14H,1-4,9-13H2,(H2,21,27)(H,22,28)