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

Systemtic Name: azepan-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: 1-azepanyl-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: azepan-1-yl-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c27-19(25-13-6-1-2-7-14-25)18-17(15-28-20-21-11-8-12-22-20)26(24-23-18)16-9-4-3-5-10-16/h3-5,8-12H,1-2,6-7,13-15H2