3-[3-cyclopropyl-5-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-oxo-2-(5-quinolylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-oxo-2-(5-quinolinylamino)ethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-oxo-2-(quinolin-5-ylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-keto-2-(5-quinolylamino)ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C19H20N6O2S/c20-16(26)8-10-25-18(12-6-7-12)23-24-19(25)28-11-17(27)22-15-5-1-4-14-13(15)3-2-9-21-14/h1-5,9,12H,6-8,10-11H2,(H2,20,26)(H,22,27)