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

Systemtic Name: 2-[3-cyclopropyl-5-[2-(1-naphthalen-2-ylethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-cyclopropyl-5-[2-[1-(2-naphthyl)ethylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-cyclopropyl-5-[[2-[1-(2-naphthalenyl)ethylamino]-2-oxoethyl]thio]-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-cyclopropyl-5-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-cyclopropyl-5-[[2-keto-2-[1-(2-naphthyl)ethylamino]ethyl]thio]-1,2,4-triazol-4-yl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NN=C(N3CC(=O)N)C4CC4

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NN=C(N3CC(=O)N)C4CC4

InChI

InChI=1S/C21H23N5O2S/c1-13(16-9-6-14-4-2-3-5-17(14)10-16)23-19(28)12-29-21-25-24-20(15-7-8-15)26(21)11-18(22)27/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,22,27)(H,23,28)