1-(2-bromophenyl)-3-[2-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[2-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea Openeye Name: 1-(2-bromophenyl)-3-[2-(4-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea CAS Name: 1-(2-bromophenyl)-3-[2-[5-(methylthio)-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[2-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea Traditional Name: 1-(2-bromophenyl)-3-[2-[4-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]ethyl]urea Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SC)CCNC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CC(C)N1C(=NN=C1SC)CCNC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C15H20BrN5OS/c1-10(2)21-13(19-20-15(21)23-3)8-9-17-14(22)18-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H2,17,18,22)