1-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]azepane CAS Name: 1-[6-[(4-chlorophenyl)thio]-2-phenyl-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]azepane Traditional Name: 1-[6-[(4-chlorophenyl)thio]-2-phenyl-pyrimidin-4-yl]azepane Formula: C22H22ClN3S MolecularWeight: 395.94818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3S/c23-18-10-12-19(13-11-18)27-21-16-20(26-14-6-1-2-7-15-26)24-22(25-21)17-8-4-3-5-9-17/h3-5,8-13,16H,1-2,6-7,14-15H2