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

Systemtic Name: 3-[4-cyclopropyl-5-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-2-(4-pyrrolidinoanilino)ethyl]thio]-1,2,4-triazol-3-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(N3C4CC4)CCC(=O)N

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4CC4)CCC(=O)N

InChI

InChI=1S/C20H26N6O2S/c21-17(27)9-10-18-23-24-20(26(18)16-7-8-16)29-13-19(28)22-14-3-5-15(6-4-14)25-11-1-2-12-25/h3-6,16H,1-2,7-13H2,(H2,21,27)(H,22,28)