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

Systemtic Name: 3-[4-cyclopropyl-5-[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-2-[1-(1-naphthyl)ethylamino]ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3C4CC4)CCC(=O)N

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CSC3=NN=C(N3C4CC4)CCC(=O)N

InChI

InChI=1S/C22H25N5O2S/c1-14(17-8-4-6-15-5-2-3-7-18(15)17)24-21(29)13-30-22-26-25-20(12-11-19(23)28)27(22)16-9-10-16/h2-8,14,16H,9-13H2,1H3,(H2,23,28)(H,24,29)