1-butan-2-yl-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea

Systemtic Name: 1-butan-2-yl-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea Openeye Name: 1-[[2-[(3-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thio]phenyl]methyl]urea IUPAC Name: 1-butan-2-yl-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea Traditional Name: 1-[2-[(3-isopropyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thio]benzyl]-3-sec-butyl-urea Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NCC1=CC=CC=C1SC2=CN3C(=NN=C3C(C)C)C=C2

Isomeric SMILES

CCC(C)NC(=O)NCC1=CC=CC=C1SC2=CN3C(=NN=C3C(C)C)C=C2

InChI

InChI=1S/C21H27N5OS/c1-5-15(4)23-21(27)22-12-16-8-6-7-9-18(16)28-17-10-11-19-24-25-20(14(2)3)26(19)13-17/h6-11,13-15H,5,12H2,1-4H3,(H2,22,23,27)