N-(2-bromophenyl)-2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide CAS Name: N-(2-bromophenyl)-2-[[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(2-bromophenyl)-2-[[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]acetamide Formula: C20H19BrN6O2S MolecularWeight: 487.37286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCC(=O)NC3=CC=CC=C3Br)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCC(=O)NC3=CC=CC=C3Br)C4=CN=CC=C4

InChI

InChI=1S/C20H19BrN6O2S/c21-15-5-1-2-6-16(15)24-17(28)11-23-18(29)12-30-20-26-25-19(27(20)14-7-8-14)13-4-3-9-22-10-13/h1-6,9-10,14H,7-8,11-12H2,(H,23,29)(H,24,28)