azepan-1-yl-[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(4-bromophenyl)-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: azepan-1-yl-[1-(4-bromophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-bromophenyl)-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C20H21BrN6OS MolecularWeight: 473.38934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)CSC4=NC=CC=N4

InChI

InChI=1S/C20H21BrN6OS/c21-15-6-8-16(9-7-15)27-17(14-29-20-22-10-5-11-23-20)18(24-25-27)19(28)26-12-3-1-2-4-13-26/h5-11H,1-4,12-14H2